CID 3836184

N-cyclohexyl-2-{[4-(2,5-dimethylphenyl)-5-phenyl-4h-1,2,4-triazol-3-yl]sulfanyl}acetamide

Structural Information

Molecular Formula
C24H28N4OS
SMILES
CC1=CC(=C(C=C1)C)N2C(=NN=C2SCC(=O)NC3CCCCC3)C4=CC=CC=C4
InChI
InChI=1S/C24H28N4OS/c1-17-13-14-18(2)21(15-17)28-23(19-9-5-3-6-10-19)26-27-24(28)30-16-22(29)25-20-11-7-4-8-12-20/h3,5-6,9-10,13-15,20H,4,7-8,11-12,16H2,1-2H3,(H,25,29)
InChIKey
MZVUGGPGKZEWJI-UHFFFAOYSA-N
Compound name
N-cyclohexyl-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

420.1984 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.20568 201.3
[M+Na]+ 443.18762 214.6
[M+NH4]+ 438.23222 208.5
[M+K]+ 459.16156 205.9
[M-H]- 419.19112 208.4
[M+Na-2H]- 441.17307 210.2
[M]+ 420.19785 205.6
[M]- 420.19895 205.6
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.