PubChemLite - Vsvaddcwtpqgjo-ibgzpjmesa-n (C25H28FN3O5S)

Structural Information

Molecular Formula

SMILES

CSC1=CC=C(C=C1)C(=O)CCC(=O)NC[C@H]2CN(C(=O)O2)C3=CC(=C(C=C3)N4CCOCC4)F

InChI

InChI=1S/C25H28FN3O5S/c1-35-20-5-2-17(3-6-20)23(30)8-9-24(31)27-15-19-16-29(25(32)34-19)18-4-7-22(21(26)14-18)28-10-12-33-13-11-28/h2-7,14,19H,8-13,15-16H2,1H3,(H,27,31)/t19-/m0/s1

InChIKey

VSVADDCWTPQGJO-IBGZPJMESA-N

Compound name

N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-(4-methylsulfanylphenyl)-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]+	502.18065	220.3
[M+Na]+	524.16259	223.2
[M-H]-	500.16609	229.2
[M+NH4]+	519.20719	222.7
[M+K]+	540.13653	219.9
[M+H-H2O]+	484.17063	209.2
[M+HCOO]-	546.17157	227.6
[M+CH3COO]-	560.18722	240.8
[M+Na-2H]-	522.14804	213.7
[M]+	501.17282	220.2
[M]-	501.17392	220.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

502.18065

220.3

[M+Na]+

524.16259

223.2

[M-H]-

500.16609

229.2

[M+NH4]+

519.20719

222.7

[M+K]+

540.13653

219.9

[M+H-H2O]+

484.17063

209.2

[M+HCOO]-

546.17157

227.6

[M+CH3COO]-

560.18722

240.8

[M+Na-2H]-

522.14804

213.7

[M]+

501.17282

220.2

[M]-

501.17392

220.2

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

Vsvaddcwtpqgjo-ibgzpjmesa-n

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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