CID 3838087

N-(4-chloro-2-methylphenyl)-2-{[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-4h-1,2,4-triazol-3-yl]sulfanyl}acetamide

Structural Information

Molecular Formula
C24H20Cl2N4O2S
SMILES
CC1=C(C=CC(=C1)Cl)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)OC
InChI
InChI=1S/C24H20Cl2N4O2S/c1-15-13-18(26)7-12-21(15)27-22(31)14-33-24-29-28-23(16-3-10-20(32-2)11-4-16)30(24)19-8-5-17(25)6-9-19/h3-13H,14H2,1-2H3,(H,27,31)
InChIKey
RQPJDODCKIXUSD-UHFFFAOYSA-N
Compound name
N-(4-chloro-2-methylphenyl)-2-[[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

498.0684 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 499.07568 218.2
[M+Na]+ 521.05762 235.6
[M+NH4]+ 516.10222 225.2
[M+K]+ 537.03156 225.2
[M-H]- 497.06112 225.4
[M+Na-2H]- 519.04307 228.1
[M]+ 498.06785 223.9
[M]- 498.06895 223.9
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.