1380327-51-4 (C24H26N2O6)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C24H26N2O6/c1-23(2,3)32-22(30)26-13-24(14-26,20(27)28)25-21(29)31-12-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h4-11,19H,12-14H2,1-3H3,(H,25,29)(H,27,28)

InChIKey

SOWFLOZLSQWFTE-UHFFFAOYSA-N

Compound name

3-(9H-fluoren-9-ylmethoxycarbonylamino)-1-[(2-methylpropan-2-yl)oxycarbonyl]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]+	439.186356	208.8
[M+Na]+	461.168298	211.1
[M-H]-	437.171804	213.7
[M+NH4]+	456.212903	214.4
[M+K]+	477.142238	212.3
[M+H-H2O]+	421.176340	196.0
[M+HCOO]-	483.177281	221.4
[M+CH3COO]-	497.192931	230.0
[M+Na-2H]-	459.153746	209.2
[M]+	438.17853142	220.5
[M]-	438.17962858	220.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

439.186356

208.8

[M+Na]+

461.168298

211.1

[M-H]-

437.171804

213.7

[M+NH4]+

456.212903

214.4

[M+K]+

477.142238

212.3

[M+H-H2O]+

421.176340

196.0

[M+HCOO]-

483.177281

221.4

[M+CH3COO]-

497.192931

230.0

[M+Na-2H]-

459.153746

209.2

[M]+

438.17853142

220.5

[M]-

438.17962858

220.5

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

1380327-51-4

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe