CID 1287266

476483-97-3

Structural Information

Molecular Formula
C23H19Cl2N5OS
SMILES
CC1=CC(=C(C(=C1)Cl)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)Cl)C4=CC=NC=C4)C
InChI
InChI=1S/C23H19Cl2N5OS/c1-14-11-15(2)21(19(25)12-14)27-20(31)13-32-23-29-28-22(16-7-9-26-10-8-16)30(23)18-5-3-17(24)4-6-18/h3-12H,13H2,1-2H3,(H,27,31)
InChIKey
WDLUTJIFIVDGIY-UHFFFAOYSA-N
Compound name
N-(2-chloro-4,6-dimethylphenyl)-2-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

483.06873 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 484.07601 214.3
[M+Na]+ 506.05795 232.2
[M+NH4]+ 501.10255 221.2
[M+K]+ 522.03189 221.8
[M-H]- 482.06145 221.2
[M+Na-2H]- 504.04340 224.3
[M]+ 483.06818 220.0
[M]- 483.06928 220.0
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.