PubChemLite - Schembl3520790 (C28H28FN3O4)

Structural Information

Molecular Formula

SMILES

C1CCN(C1)C2=C(C=C(C=C2)N3C[C@@H](OC3=O)CNC(=O)CCC(=O)C4=CC5=CC=CC=C5C=C4)F

InChI

InChI=1S/C28H28FN3O4/c29-24-16-22(9-10-25(24)31-13-3-4-14-31)32-18-23(36-28(32)35)17-30-27(34)12-11-26(33)21-8-7-19-5-1-2-6-20(19)15-21/h1-2,5-10,15-16,23H,3-4,11-14,17-18H2,(H,30,34)/t23-/m0/s1

InChIKey

CZVWXEFJWLJVCQ-QHCPKHFHSA-N

Compound name

N-[[(5S)-3-(3-fluoro-4-pyrrolidin-1-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-naphthalen-2-yl-4-oxobutanamide

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]+	490.21368	217.2
[M+Na]+	512.19562	220.2
[M-H]-	488.19912	226.8
[M+NH4]+	507.24022	223.2
[M+K]+	528.16956	215.2
[M+H-H2O]+	472.20366	205.7
[M+HCOO]-	534.20460	230.3
[M+CH3COO]-	548.22025	223.4
[M+Na-2H]-	510.18107	210.7
[M]+	489.20585	214.6
[M]-	489.20695	214.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

490.21368

217.2

[M+Na]+

512.19562

220.2

[M-H]-

488.19912

226.8

[M+NH4]+

507.24022

223.2

[M+K]+

528.16956

215.2

[M+H-H2O]+

472.20366

205.7

[M+HCOO]-

534.20460

230.3

[M+CH3COO]-

548.22025

223.4

[M+Na-2H]-

510.18107

210.7

[M]+

489.20585

214.6

[M]-

489.20695

214.6

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

Schembl3520790

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe