PubChemLite - 1463524-95-9 (C25H28N2O6)

Structural Information

Molecular Formula

SMILES

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

InChI

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

InChIKey

IJXRRVYEYNQMPR-UHFFFAOYSA-N

Compound name

2-[9H-fluoren-9-ylmethoxycarbonyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-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]+	453.20201	211.1
[M+Na]+	475.18395	211.9
[M-H]-	451.18745	216.8
[M+NH4]+	470.22855	214.6
[M+K]+	491.15789	214.3
[M+H-H2O]+	435.19199	197.1
[M+HCOO]-	497.19293	223.8
[M+CH3COO]-	511.20858	236.2
[M+Na-2H]-	473.16940	209.1
[M]+	452.19418	223.8
[M]-	452.19528	223.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

453.20201

211.1

[M+Na]+

475.18395

211.9

[M-H]-

451.18745

216.8

[M+NH4]+

470.22855

214.6

[M+K]+

491.15789

214.3

[M+H-H2O]+

435.19199

197.1

[M+HCOO]-

497.19293

223.8

[M+CH3COO]-

511.20858

236.2

[M+Na-2H]-

473.16940

209.1

[M]+

452.19418

223.8

[M]-

452.19528

223.8

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

1463524-95-9

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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