CID 6402919

335215-70-8

Structural Information

Molecular Formula
C24H20N4OS
SMILES
CC1=CC=C(C=C1)NC(=O)CSC2=NC(=C(N=N2)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C24H20N4OS/c1-17-12-14-20(15-13-17)25-21(29)16-30-24-26-22(18-8-4-2-5-9-18)23(27-28-24)19-10-6-3-7-11-19/h2-15H,16H2,1H3,(H,25,29)
InChIKey
VOXVEABJZITXAJ-UHFFFAOYSA-N
Compound name
2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-(4-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 198.5
[M+Na]+ 435.12499 205.6
[M-H]- 411.12849 206.8
[M+NH4]+ 430.16959 204.2
[M+K]+ 451.09893 196.7
[M+H-H2O]+ 395.13303 186.0
[M+HCOO]- 457.13397 213.4
[M+CH3COO]- 471.14962 206.5
[M+Na-2H]- 433.11044 201.5
[M]+ 412.13522 199.4
[M]- 412.13632 199.4
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.