CID 45792132

N-(4-formyl-1,3-thiazol-2-yl)-n-[4-(trifluoromethyl)phenyl]acetamide

Structural Information

Molecular Formula
C13H9F3N2O2S
SMILES
CC(=O)N(C1=CC=C(C=C1)C(F)(F)F)C2=NC(=CS2)C=O
InChI
InChI=1S/C13H9F3N2O2S/c1-8(20)18(12-17-10(6-19)7-21-12)11-4-2-9(3-5-11)13(14,15)16/h2-7H,1H3
InChIKey
PZLQWLRSLIAFNI-UHFFFAOYSA-N
Compound name
N-(4-formyl-1,3-thiazol-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.0337 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.04098 169.8
[M+Na]+ 337.02292 177.4
[M+NH4]+ 332.06752 174.4
[M+K]+ 352.99686 173.0
[M-H]- 313.02642 167.6
[M+Na-2H]- 335.00837 173.6
[M]+ 314.03315 170.3
[M]- 314.03425 170.3
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.