CID 978975

332907-37-6

Structural Information

Molecular Formula
C24H22N4O2S
SMILES
COC1=CC=CC=C1NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)CC4=CC=CC=C4
InChI
InChI=1S/C24H22N4O2S/c1-30-21-15-9-8-14-20(21)25-23(29)17-31-24-27-26-22(16-18-10-4-2-5-11-18)28(24)19-12-6-3-7-13-19/h2-15H,16-17H2,1H3,(H,25,29)
InChIKey
ZUMYTTOLENTFNQ-UHFFFAOYSA-N
Compound name
2-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxyphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

430.14636 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.15364 201.6
[M+Na]+ 453.13558 216.7
[M+NH4]+ 448.18018 208.3
[M+K]+ 469.10952 207.8
[M-H]- 429.13908 208.8
[M+Na-2H]- 451.12103 212.8
[M]+ 430.14581 206.3
[M]- 430.14691 206.3
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.