PubChemLite - 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]+	439.18636	208.8
[M+Na]+	461.16830	211.1
[M-H]-	437.17180	213.7
[M+NH4]+	456.21290	214.4
[M+K]+	477.14224	212.3
[M+H-H2O]+	421.17634	196.0
[M+HCOO]-	483.17728	221.4
[M+CH3COO]-	497.19293	230.0
[M+Na-2H]-	459.15375	209.2
[M]+	438.17853	220.5
[M]-	438.17963	220.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

439.18636

208.8

[M+Na]+

461.16830

211.1

[M-H]-

437.17180

213.7

[M+NH4]+

456.21290

214.4

[M+K]+

477.14224

212.3

[M+H-H2O]+

421.17634

196.0

[M+HCOO]-

483.17728

221.4

[M+CH3COO]-

497.19293

230.0

[M+Na-2H]-

459.15375

209.2

[M]+

438.17853

220.5

[M]-

438.17963

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

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