CID 3302459

538336-50-4

Structural Information

Molecular Formula
C24H20Cl2N4OS
SMILES
CC1=CC(=C(C=C1)C)N2C(=NN=C2SCC(=O)NC3=C(C=CC=C3Cl)Cl)C4=CC=CC=C4
InChI
InChI=1S/C24H20Cl2N4OS/c1-15-11-12-16(2)20(13-15)30-23(17-7-4-3-5-8-17)28-29-24(30)32-14-21(31)27-22-18(25)9-6-10-19(22)26/h3-13H,14H2,1-2H3,(H,27,31)
InChIKey
ADIQYLNMCPYDSZ-UHFFFAOYSA-N
Compound name
N-(2,6-dichlorophenyl)-2-[[4-(2,5-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

482.0735 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 483.08078 215.6
[M+Na]+ 505.06272 233.5
[M+NH4]+ 500.10732 223.2
[M+K]+ 521.03666 222.5
[M-H]- 481.06622 223.2
[M+Na-2H]- 503.04817 225.8
[M]+ 482.07295 221.6
[M]- 482.07405 221.6
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.