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 165.4
[M+Na]+ 337.02292 174.5
[M-H]- 313.02642 169.1
[M+NH4]+ 332.06752 181.3
[M+K]+ 352.99686 170.9
[M+H-H2O]+ 297.03096 155.5
[M+HCOO]- 359.03190 181.1
[M+CH3COO]- 373.04755 206.1
[M+Na-2H]- 335.00837 165.1
[M]+ 314.03315 166.1
[M]- 314.03425 166.1
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.