CID 2816402

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

Structural Information

Molecular Formula
C17H14N4OS
SMILES
C1=CC=C(C=C1)C2=C(N=NC(=N2)SCC(=O)N)C3=CC=CC=C3
InChI
InChI=1S/C17H14N4OS/c18-14(22)11-23-17-19-15(12-7-3-1-4-8-12)16(20-21-17)13-9-5-2-6-10-13/h1-10H,11H2,(H2,18,22)
InChIKey
OVUWIVDIMTZZPB-UHFFFAOYSA-N
Compound name
2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

0
Patents

322.08884 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.09612 173.2
[M+Na]+ 345.07806 181.3
[M-H]- 321.08156 178.6
[M+NH4]+ 340.12266 182.8
[M+K]+ 361.05200 174.0
[M+H-H2O]+ 305.08610 162.7
[M+HCOO]- 367.08704 188.7
[M+CH3COO]- 381.10269 182.9
[M+Na-2H]- 343.06351 176.8
[M]+ 322.08829 173.4
[M]- 322.08939 173.4
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.