PubChemLite - 2137851-97-7 (C25H27NO4)

Structural Information

Molecular Formula

SMILES

C1CCC(C1)[C@@H]2CN(C[C@H]2C(=O)O)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35

InChI

InChI=1S/C25H27NO4/c27-24(28)22-14-26(13-21(22)16-7-1-2-8-16)25(29)30-15-23-19-11-5-3-9-17(19)18-10-4-6-12-20(18)23/h3-6,9-12,16,21-23H,1-2,7-8,13-15H2,(H,27,28)/t21-,22+/m0/s1

InChIKey

PELSKMURSVIEBC-FCHUYYIVSA-N

Compound name

(3S,4S)-4-cyclopentyl-1-(9H-fluoren-9-ylmethoxycarbonyl)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]+	406.20128	199.2
[M+Na]+	428.18322	202.7
[M-H]-	404.18672	208.0
[M+NH4]+	423.22782	214.5
[M+K]+	444.15716	198.0
[M+H-H2O]+	388.19126	192.4
[M+HCOO]-	450.19220	213.5
[M+CH3COO]-	464.20785	207.5
[M+Na-2H]-	426.16867	191.9
[M]+	405.19345	197.1
[M]-	405.19455	197.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

406.20128

199.2

[M+Na]+

428.18322

202.7

[M-H]-

404.18672

208.0

[M+NH4]+

423.22782

214.5

[M+K]+

444.15716

198.0

[M+H-H2O]+

388.19126

192.4

[M+HCOO]-

450.19220

213.5

[M+CH3COO]-

464.20785

207.5

[M+Na-2H]-

426.16867

191.9

[M]+

405.19345

197.1

[M]-

405.19455

197.1

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

2137851-97-7

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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