CID 1597583

443740-19-0

Structural Information

Molecular Formula
C24H18ClF3N4OS
SMILES
CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=CC(=C3)C(F)(F)F)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C24H18ClF3N4OS/c1-15-5-11-20(12-6-15)32-22(16-7-9-18(25)10-8-16)30-31-23(32)34-14-21(33)29-19-4-2-3-17(13-19)24(26,27)28/h2-13H,14H2,1H3,(H,29,33)
InChIKey
JDLOPBALPWXYAY-UHFFFAOYSA-N
Compound name
2-[[5-(4-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

502.0842 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 503.09148 211.8
[M+Na]+ 525.07342 223.9
[M+NH4]+ 520.11802 216.1
[M+K]+ 541.04736 216.1
[M-H]- 501.07692 213.7
[M+Na-2H]- 523.05887 219.5
[M]+ 502.08365 214.6
[M]- 502.08475 214.6
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.