CID 1985424

443738-36-1

Structural Information

Molecular Formula
C23H18Cl2N4OS
SMILES
CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C23H18Cl2N4OS/c1-15-2-12-20(13-3-15)29-22(16-4-6-17(24)7-5-16)27-28-23(29)31-14-21(30)26-19-10-8-18(25)9-11-19/h2-13H,14H2,1H3,(H,26,30)
InChIKey
ZVZGPPUOAGKJAJ-UHFFFAOYSA-N
Compound name
N-(4-chlorophenyl)-2-[[5-(4-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

468.05783 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.06511 210.3
[M+Na]+ 491.04705 228.1
[M+NH4]+ 486.09165 218.1
[M+K]+ 507.02099 217.2
[M-H]- 467.05055 217.9
[M+Na-2H]- 489.03250 221.1
[M]+ 468.05728 216.3
[M]- 468.05838 216.3
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.