CID 3002179

N-[[(5s)-3-[3-fluoro-4-[1-(methylcarbamothioyl)pyrazol-4-yl]phenyl]-2-oxo-oxazolidin-5-yl]methyl]acetamide

Structural Information

Molecular Formula
C17H18FN5O3S
SMILES
CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)C3=CN(N=C3)C(=S)NC)F
InChI
InChI=1S/C17H18FN5O3S/c1-10(24)20-7-13-9-22(17(25)26-13)12-3-4-14(15(18)5-12)11-6-21-23(8-11)16(27)19-2/h3-6,8,13H,7,9H2,1-2H3,(H,19,27)(H,20,24)/t13-/m0/s1
InChIKey
WODWXDQITWDYCE-ZDUSSCGKSA-N
Compound name
N-[[(5S)-3-[3-fluoro-4-[1-(methylcarbamothioyl)pyrazol-4-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

391.11145 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.11873 191.5
[M+Na]+ 414.10067 199.3
[M-H]- 390.10417 198.3
[M+NH4]+ 409.14527 201.5
[M+K]+ 430.07461 195.4
[M+H-H2O]+ 374.10871 182.5
[M+HCOO]- 436.10965 205.6
[M+CH3COO]- 450.12530 221.8
[M+Na-2H]- 412.08612 186.5
[M]+ 391.11090 193.0
[M]- 391.11200 193.0
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.