CID 1113644

4-methyl-n-{5-[3-(trifluoromethyl)benzyl]-1,3-thiazol-2-yl}benzamide

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]+ 377.09300 184.4
[M+Na]+ 399.07494 193.1
[M-H]- 375.07844 189.6
[M+NH4]+ 394.11954 197.2
[M+K]+ 415.04888 186.1
[M+H-H2O]+ 359.08298 173.4
[M+HCOO]- 421.08392 198.7
[M+CH3COO]- 435.09957 216.3
[M+Na-2H]- 397.06039 183.4
[M]+ 376.08517 183.3
[M]- 376.08627 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.