PubChemLite - (5s)-3-[1-(3-fluoro-4-thiomorpholino-phenyl)pyrrol-3-yl]-5-(3-methylbut-3-enyl)oxazolidin-2-one (C22H26FN3O2S)

Structural Information

Molecular Formula

SMILES

CC(=C)CC[C@H]1CN(C(=O)O1)C2=CN(C=C2)C3=CC(=C(C=C3)N4CCSCC4)F

InChI

InChI=1S/C22H26FN3O2S/c1-16(2)3-5-19-15-26(22(27)28-19)18-7-8-25(14-18)17-4-6-21(20(23)13-17)24-9-11-29-12-10-24/h4,6-8,13-14,19H,1,3,5,9-12,15H2,2H3/t19-/m0/s1

InChIKey

PZVSNNFMIGOYMG-IBGZPJMESA-N

Compound name

(5S)-3-[1-(3-fluoro-4-thiomorpholin-4-ylphenyl)pyrrol-3-yl]-5-(3-methylbut-3-enyl)-1,3-oxazolidin-2-one

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]+	416.18025	200.2
[M+Na]+	438.16219	206.3
[M-H]-	414.16569	208.3
[M+NH4]+	433.20679	209.2
[M+K]+	454.13613	201.1
[M+H-H2O]+	398.17023	190.4
[M+HCOO]-	460.17117	208.5
[M+CH3COO]-	474.18682	208.0
[M+Na-2H]-	436.14764	190.7
[M]+	415.17242	198.2
[M]-	415.17352	198.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

416.18025

200.2

[M+Na]+

438.16219

206.3

[M-H]-

414.16569

208.3

[M+NH4]+

433.20679

209.2

[M+K]+

454.13613

201.1

[M+H-H2O]+

398.17023

190.4

[M+HCOO]-

460.17117

208.5

[M+CH3COO]-

474.18682

208.0

[M+Na-2H]-

436.14764

190.7

[M]+

415.17242

198.2

[M]-

415.17352

198.2

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

(5s)-3-[1-(3-fluoro-4-thiomorpholino-phenyl)pyrrol-3-yl]-5-(3-methylbut-3-enyl)oxazolidin-2-one

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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