PubChemLite - Gphypgphypgphypg (C38H56N10O14)

Structural Information

Molecular Formula

SMILES

C1CC(N(C1)C(=O)CN)C(=O)N2CC(CC2C(=O)NCC(=O)N3CCCC3C(=O)N4CC(CC4C(=O)NCC(=O)N5CCCC5C(=O)N6CC(CC6C(=O)NCC(=O)O)O)O)O

InChI

InChI=1S/C38H56N10O14/c39-13-29(52)43-7-1-4-23(43)36(60)46-17-20(49)10-26(46)33(57)40-14-30(53)44-8-2-5-24(44)37(61)47-18-21(50)11-27(47)34(58)41-15-31(54)45-9-3-6-25(45)38(62)48-19-22(51)12-28(48)35(59)42-16-32(55)56/h20-28,49-51H,1-19,39H2,(H,40,57)(H,41,58)(H,42,59)(H,55,56)

InChIKey

ITBQFJGOFFKJBF-UHFFFAOYSA-N

Compound name

2-[[1-[1-[2-[[1-[1-[2-[[1-[1-(2-aminoacetyl)pyrrolidine-2-carbonyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetic acid

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	877.40505	259.8
[M+Na]+	899.38699	257.0
[M-H]-	875.39049	257.7
[M+NH4]+	894.43159	259.1
[M+K]+	915.36093	268.3
[M+H-H2O]+	859.39503	237.2
[M+HCOO]-	921.39597	259.5
[M+CH3COO]-	935.41162	262.2
[M+Na-2H]-	897.37244	260.0
[M]+	876.39722	270.7
[M]-	876.39832	270.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

877.40505

259.8

[M+Na]+

899.38699

257.0

[M-H]-

875.39049

257.7

[M+NH4]+

894.43159

259.1

[M+K]+

915.36093

268.3

[M+H-H2O]+

859.39503

237.2

[M+HCOO]-

921.39597

259.5

[M+CH3COO]-

935.41162

262.2

[M+Na-2H]-

897.37244

260.0

[M]+

876.39722

270.7

[M]-

876.39832

270.7

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Gphypgphypgphypg

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe