2932441-59-1 (C25H28N2O6)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C25H28N2O6/c1-24(2,3)33-22(30)26(4)25(21(28)29)14-27(15-25)23(31)32-13-20-18-11-7-5-9-16(18)17-10-6-8-12-19(17)20/h5-12,20H,13-15H2,1-4H3,(H,28,29)

InChIKey

VQIKEEWSZVVSBS-UHFFFAOYSA-N

Compound name

1-(9H-fluoren-9-ylmethoxycarbonyl)-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]azetidine-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]+	453.202006	213.2
[M+Na]+	475.183948	215.1
[M-H]-	451.187454	219.2
[M+NH4]+	470.228553	218.8
[M+K]+	491.157888	217.5
[M+H-H2O]+	435.191990	200.3
[M+HCOO]-	497.192931	225.9
[M+CH3COO]-	511.208581	235.7
[M+Na-2H]-	473.169396	212.4
[M]+	452.19418142	226.3
[M]-	452.19527858	226.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

453.202006

213.2

[M+Na]+

475.183948

215.1

[M-H]-

451.187454

219.2

[M+NH4]+

470.228553

218.8

[M+K]+

491.157888

217.5

[M+H-H2O]+

435.191990

200.3

[M+HCOO]-

497.192931

225.9

[M+CH3COO]-

511.208581

235.7

[M+Na-2H]-

473.169396

212.4

[M]+

452.19418142

226.3

[M]-

452.19527858

226.3

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

2932441-59-1

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe