PubChemLite - 2305253-84-1 (C25H28N2O6)

Structural Information

Molecular Formula

SMILES

CC(C)(C)OC(=O)N1CC(C1)C(C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

InChI

InChI=1S/C25H28N2O6/c1-25(2,3)33-24(31)27-12-15(13-27)21(22(28)29)26-23(30)32-14-20-18-10-6-4-8-16(18)17-9-5-7-11-19(17)20/h4-11,15,20-21H,12-14H2,1-3H3,(H,26,30)(H,28,29)

InChIKey

CVGJPLBSALWEQV-UHFFFAOYSA-N

Compound name

2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]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]+	453.20201	211.8
[M+Na]+	475.18395	212.1
[M-H]-	451.18745	216.2
[M+NH4]+	470.22855	214.7
[M+K]+	491.15789	213.9
[M+H-H2O]+	435.19199	198.0
[M+HCOO]-	497.19293	223.0
[M+CH3COO]-	511.20858	234.2
[M+Na-2H]-	473.16940	209.4
[M]+	452.19418	222.7
[M]-	452.19528	222.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

453.20201

211.8

[M+Na]+

475.18395

212.1

[M-H]-

451.18745

216.2

[M+NH4]+

470.22855

214.7

[M+K]+

491.15789

213.9

[M+H-H2O]+

435.19199

198.0

[M+HCOO]-

497.19293

223.0

[M+CH3COO]-

511.20858

234.2

[M+Na-2H]-

473.16940

209.4

[M]+

452.19418

222.7

[M]-

452.19528

222.8

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

2305253-84-1

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe