CID 476961

Pnu 176968

Structural Information

Molecular Formula
C15H14FN3O3S
SMILES
CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)C3=CN=CS3)F
InChI
InChI=1S/C15H14FN3O3S/c1-9(20)18-5-11-7-19(15(21)22-11)10-2-3-12(13(16)4-10)14-6-17-8-23-14/h2-4,6,8,11H,5,7H2,1H3,(H,18,20)/t11-/m0/s1
InChIKey
VRQMYABRBQHVPL-NSHDSACASA-N
Compound name
N-[[(5S)-3-[3-fluoro-4-(1,3-thiazol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.074 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.08128 174.8
[M+Na]+ 358.06322 183.6
[M-H]- 334.06672 182.6
[M+NH4]+ 353.10782 188.6
[M+K]+ 374.03716 180.4
[M+H-H2O]+ 318.07126 166.6
[M+HCOO]- 380.07220 190.8
[M+CH3COO]- 394.08785 207.7
[M+Na-2H]- 356.04867 171.6
[M]+ 335.07345 176.9
[M]- 335.07455 176.9
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.