PubChemLite - 7ahp-d-lyscar-l-lyscar (C23H48N6O6)

Structural Information

Molecular Formula

SMILES

C(CCCN)CCCNCC(=O)N[C@H](CCCCN)COC(=O)N[C@@H](CCCCN)COC(=O)O

InChI

InChI=1S/C23H48N6O6/c24-12-6-2-1-3-9-15-27-16-21(30)28-19(10-4-7-13-25)17-34-22(31)29-20(11-5-8-14-26)18-35-23(32)33/h19-20,27H,1-18,24-26H2,(H,28,30)(H,29,31)(H,32,33)/t19-,20+/m1/s1

InChIKey

OGAGOXVPMLXGHW-UXHICEINSA-N

Compound name

[(2S)-6-amino-2-[[(2R)-6-amino-2-[[2-(7-aminoheptylamino)acetyl]amino]hexoxy]carbonylamino]hexyl] hydrogen carbonate

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]+	505.37081	231.6
[M+Na]+	527.35275	244.4
[M-H]-	503.35625	238.0
[M+NH4]+	522.39735	229.1
[M+K]+	543.32669	234.7
[M+H-H2O]+	487.36079	226.9
[M+HCOO]-	549.36173	220.3
[M+CH3COO]-	563.37738	256.9
[M+Na-2H]-	525.33820	219.5
[M]+	504.36298	214.2
[M]-	504.36408	214.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

505.37081

231.6

[M+Na]+

527.35275

244.4

[M-H]-

503.35625

238.0

[M+NH4]+

522.39735

229.1

[M+K]+

543.32669

234.7

[M+H-H2O]+

487.36079

226.9

[M+HCOO]-

549.36173

220.3

[M+CH3COO]-

563.37738

256.9

[M+Na-2H]-

525.33820

219.5

[M]+

504.36298

214.2

[M]-

504.36408

214.2

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

7ahp-d-lyscar-l-lyscar

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe