CID 4191623

368889-67-2

Structural Information

Molecular Formula
C12H10FN3O2S
SMILES
C1=CC(=CC=C1CNC(=O)C(=O)NC2=NC=CS2)F
InChI
InChI=1S/C12H10FN3O2S/c13-9-3-1-8(2-4-9)7-15-10(17)11(18)16-12-14-5-6-19-12/h1-6H,7H2,(H,15,17)(H,14,16,18)
InChIKey
KYLUZUQBTDQGCM-UHFFFAOYSA-N
Compound name
N-[(4-fluorophenyl)methyl]-N'-(1,3-thiazol-2-yl)oxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.0478 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.05508 159.4
[M+Na]+ 302.03702 166.4
[M-H]- 278.04052 163.9
[M+NH4]+ 297.08162 175.5
[M+K]+ 318.01096 162.4
[M+H-H2O]+ 262.04506 150.6
[M+HCOO]- 324.04600 178.6
[M+CH3COO]- 338.06165 198.1
[M+Na-2H]- 300.02247 160.7
[M]+ 279.04725 159.3
[M]- 279.04835 159.3
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.