CID 1417282

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

Structural Information

Molecular Formula
C25H23ClN4O2S
SMILES
CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=C(C=CC(=C3)C)OC)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C25H23ClN4O2S/c1-16-4-11-20(12-5-16)30-24(18-7-9-19(26)10-8-18)28-29-25(30)33-15-23(31)27-21-14-17(2)6-13-22(21)32-3/h4-14H,15H2,1-3H3,(H,27,31)
InChIKey
IRIGTMXUOYKYKY-UHFFFAOYSA-N
Compound name
2-[[5-(4-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxy-5-methylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

478.12302 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 479.13030 215.8
[M+Na]+ 501.11224 232.6
[M+NH4]+ 496.15684 222.6
[M+K]+ 517.08618 222.8
[M-H]- 477.11574 223.3
[M+Na-2H]- 499.09769 225.8
[M]+ 478.12247 221.2
[M]- 478.12357 221.2
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.