CID 1113644

303093-72-3

Structural Information

Molecular Formula
C19H15F3N2OS
SMILES
CC1=CC=C(C=C1)C(=O)NC2=NC=C(S2)CC3=CC(=CC=C3)C(F)(F)F
InChI
InChI=1S/C19H15F3N2OS/c1-12-5-7-14(8-6-12)17(25)24-18-23-11-16(26-18)10-13-3-2-4-15(9-13)19(20,21)22/h2-9,11H,10H2,1H3,(H,23,24,25)
InChIKey
GVZPARQWVHCVTN-UHFFFAOYSA-N
Compound name
4-methyl-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.08572 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.092996 184.4
[M+Na]+ 399.074938 193.1
[M-H]- 375.078444 189.6
[M+NH4]+ 394.119543 197.2
[M+K]+ 415.048878 186.1
[M+H-H2O]+ 359.082980 173.4
[M+HCOO]- 421.083921 198.7
[M+CH3COO]- 435.099571 216.3
[M+Na-2H]- 397.060386 183.4
[M]+ 376.08517142 183.3
[M]- 376.08626858 183.3
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.