PubChemLite - 2172462-68-7 (C30H36N2O6)

Structural Information

Molecular Formula

SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C2CN(CC2C(=O)O)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35

InChI

InChI=1S/C30H36N2O6/c1-30(2,3)38-29(36)31-14-12-19(13-15-31)24-16-32(17-25(24)27(33)34)28(35)37-18-26-22-10-6-4-8-20(22)21-9-5-7-11-23(21)26/h4-11,19,24-26H,12-18H2,1-3H3,(H,33,34)

InChIKey

IHAQZUGRFMHEFW-UHFFFAOYSA-N

Compound name

1-(9H-fluoren-9-ylmethoxycarbonyl)-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrrolidine-3-carboxylic 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]+	521.26458	226.7
[M+Na]+	543.24652	227.5
[M-H]-	519.25002	233.1
[M+NH4]+	538.29112	233.8
[M+K]+	559.22046	224.2
[M+H-H2O]+	503.25456	218.4
[M+HCOO]-	565.25550	233.2
[M+CH3COO]-	579.27115	241.7
[M+Na-2H]-	541.23197	219.4
[M]+	520.25675	225.4
[M]-	520.25785	225.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

521.26458

226.7

[M+Na]+

543.24652

227.5

[M-H]-

519.25002

233.1

[M+NH4]+

538.29112

233.8

[M+K]+

559.22046

224.2

[M+H-H2O]+

503.25456

218.4

[M+HCOO]-

565.25550

233.2

[M+CH3COO]-

579.27115

241.7

[M+Na-2H]-

541.23197

219.4

[M]+

520.25675

225.4

[M]-

520.25785

225.4

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

2172462-68-7

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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