CID 478458

N-[[(5s)-3-[3-fluoro-4-(1-oxothian-4-yl)phenyl]-2-oxo-oxazolidin-5-yl]methyl]prop-2-enamide

Structural Information

Molecular Formula
C18H21FN2O4S
SMILES
C=CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)C3CCS(=O)CC3)F
InChI
InChI=1S/C18H21FN2O4S/c1-2-17(22)20-10-14-11-21(18(23)25-14)13-3-4-15(16(19)9-13)12-5-7-26(24)8-6-12/h2-4,9,12,14H,1,5-8,10-11H2,(H,20,22)/t12?,14-,26?/m0/s1
InChIKey
FZBQUPVVJYNTEM-RQXQQJJBSA-N
Compound name
N-[[(5S)-3-[3-fluoro-4-(1-oxothian-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.1206 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.12788 188.1
[M+Na]+ 403.10982 193.5
[M-H]- 379.11332 195.2
[M+NH4]+ 398.15442 199.0
[M+K]+ 419.08376 189.3
[M+H-H2O]+ 363.11786 179.3
[M+HCOO]- 425.11880 199.5
[M+CH3COO]- 439.13445 217.3
[M+Na-2H]- 401.09527 183.0
[M]+ 380.12005 185.8
[M]- 380.12115 185.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.