CID 6415993

N-(2-cyanophenyl)-2-((5,6-diphenyl-1,2,4-triazin-3-yl)thio)acetamide

Structural Information

Molecular Formula
C24H17N5OS
SMILES
C1=CC=C(C=C1)C2=C(N=NC(=N2)SCC(=O)NC3=CC=CC=C3C#N)C4=CC=CC=C4
InChI
InChI=1S/C24H17N5OS/c25-15-19-13-7-8-14-20(19)26-21(30)16-31-24-27-22(17-9-3-1-4-10-17)23(28-29-24)18-11-5-2-6-12-18/h1-14H,16H2,(H,26,30)
InChIKey
VMADAHBFMTVVGK-UHFFFAOYSA-N
Compound name
N-(2-cyanophenyl)-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

423.1154 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.12268 206.4
[M+Na]+ 446.10462 215.3
[M-H]- 422.10812 211.3
[M+NH4]+ 441.14922 210.2
[M+K]+ 462.07856 205.0
[M+H-H2O]+ 406.11266 187.4
[M+HCOO]- 468.11360 217.2
[M+CH3COO]- 482.12925 211.9
[M+Na-2H]- 444.09007 207.9
[M]+ 423.11485 201.1
[M]- 423.11595 201.1
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.