CID 476951

N-{(s)-3-[4-(5-acetylthien-2-yl)-3-fluorophenyl]-2-oxo-oxazolidin-5-ylmethyl}-acetamide

Structural Information

Molecular Formula
C18H17FN2O4S
SMILES
CC(=O)C1=CC=C(S1)C2=C(C=C(C=C2)N3C[C@@H](OC3=O)CNC(=O)C)F
InChI
InChI=1S/C18H17FN2O4S/c1-10(22)16-5-6-17(26-16)14-4-3-12(7-15(14)19)21-9-13(25-18(21)24)8-20-11(2)23/h3-7,13H,8-9H2,1-2H3,(H,20,23)/t13-/m0/s1
InChIKey
DIAXFKVGIAIENT-ZDUSSCGKSA-N
Compound name
N-[[(5S)-3-[4-(5-acetylthiophen-2-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.0893 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.09658 187.2
[M+Na]+ 399.07852 195.0
[M-H]- 375.08202 196.2
[M+NH4]+ 394.12312 200.5
[M+K]+ 415.05246 191.9
[M+H-H2O]+ 359.08656 179.8
[M+HCOO]- 421.08750 202.6
[M+CH3COO]- 435.10315 217.5
[M+Na-2H]- 397.06397 181.4
[M]+ 376.08875 190.3
[M]- 376.08985 190.3
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.