2137065-83-7 (C26H30N2O6)

Structural Information

Molecular Formula

SMILES

CC(C)(C)OC(=O)N1CC[C@@H](C1)N(CC(=O)O)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

InChI

InChI=1S/C26H30N2O6/c1-26(2,3)34-24(31)27-13-12-17(14-27)28(15-23(29)30)25(32)33-16-22-20-10-6-4-8-18(20)19-9-5-7-11-21(19)22/h4-11,17,22H,12-16H2,1-3H3,(H,29,30)/t17-/m0/s1

InChIKey

CCDFDFQWAURBIC-KRWDZBQOSA-N

Compound name

2-[9H-fluoren-9-ylmethoxycarbonyl-[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]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]+	467.217676	212.4
[M+Na]+	489.199618	214.5
[M-H]-	465.203124	219.0
[M+NH4]+	484.244223	223.8
[M+K]+	505.173558	213.2
[M+H-H2O]+	449.207660	205.3
[M+HCOO]-	511.208601	226.4
[M+CH3COO]-	525.224251	235.6
[M+Na-2H]-	487.185066	209.4
[M]+	466.20985142	215.9
[M]-	466.21094858	215.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

467.217676

212.4

[M+Na]+

489.199618

214.5

[M-H]-

465.203124

219.0

[M+NH4]+

484.244223

223.8

[M+K]+

505.173558

213.2

[M+H-H2O]+

449.207660

205.3

[M+HCOO]-

511.208601

226.4

[M+CH3COO]-

525.224251

235.6

[M+Na-2H]-

487.185066

209.4

[M]+

466.20985142

215.9

[M]-

466.21094858

215.9

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

2137065-83-7

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe