CID 6402917

2-((5,6-diphenyl-1,2,4-triazin-3-yl)thio)-n-(4-methoxyphenyl)acetamide

Structural Information

Molecular Formula
C24H20N4O2S
SMILES
COC1=CC=C(C=C1)NC(=O)CSC2=NC(=C(N=N2)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C24H20N4O2S/c1-30-20-14-12-19(13-15-20)25-21(29)16-31-24-26-22(17-8-4-2-5-9-17)23(27-28-24)18-10-6-3-7-11-18/h2-15H,16H2,1H3,(H,25,29)
InChIKey
BYXNQHZZFSQOKB-UHFFFAOYSA-N
Compound name
2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

428.1307 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.13798 200.0
[M+Na]+ 451.11992 217.1
[M+NH4]+ 446.16452 207.0
[M+K]+ 467.09386 205.7
[M-H]- 427.12342 208.1
[M+Na-2H]- 449.10537 213.0
[M]+ 428.13015 205.4
[M]- 428.13125 205.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.