CID 6402831

2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-n-(3-methylphenyl)acetamide

Structural Information

Molecular Formula
C24H20N4OS
SMILES
CC1=CC(=CC=C1)NC(=O)CSC2=NC(=C(N=N2)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C24H20N4OS/c1-17-9-8-14-20(15-17)25-21(29)16-30-24-26-22(18-10-4-2-5-11-18)23(27-28-24)19-12-6-3-7-13-19/h2-15H,16H2,1H3,(H,25,29)
InChIKey
KCVBUCUYAPJYOX-UHFFFAOYSA-N
Compound name
2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-(3-methylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

412.13577 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.14305 196.8
[M+Na]+ 435.12499 214.4
[M+NH4]+ 430.16959 204.3
[M+K]+ 451.09893 202.5
[M-H]- 411.12849 205.3
[M+Na-2H]- 433.11044 210.3
[M]+ 412.13522 202.4
[M]- 412.13632 202.4
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.