CID 1544137

477318-65-3

Structural Information

Molecular Formula
C24H23N5OS
SMILES
CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC(=CC(=C3)C)C)C4=CC=NC=C4
InChI
InChI=1S/C24H23N5OS/c1-16-4-6-21(7-5-16)29-23(19-8-10-25-11-9-19)27-28-24(29)31-15-22(30)26-20-13-17(2)12-18(3)14-20/h4-14H,15H2,1-3H3,(H,26,30)
InChIKey
FCLGQZNBSXSNHU-UHFFFAOYSA-N
Compound name
N-(3,5-dimethylphenyl)-2-[[4-(4-methylphenyl)-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

429.16232 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.16960 203.4
[M+Na]+ 452.15154 219.5
[M+NH4]+ 447.19614 209.9
[M+K]+ 468.12548 210.7
[M-H]- 428.15504 210.4
[M+Na-2H]- 450.13699 214.0
[M]+ 429.16177 208.3
[M]- 429.16287 208.3
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.