CID 6410220

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

Structural Information

Molecular Formula
C23H17N5O3S
SMILES
C1=CC=C(C=C1)C2=C(N=NC(=N2)SCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4
InChI
InChI=1S/C23H17N5O3S/c29-20(24-18-11-13-19(14-12-18)28(30)31)15-32-23-25-21(16-7-3-1-4-8-16)22(26-27-23)17-9-5-2-6-10-17/h1-14H,15H2,(H,24,29)
InChIKey
MKYLSMIUVLZVOY-UHFFFAOYSA-N
Compound name
2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-(4-nitrophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

443.10522 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.11250 196.3
[M+Na]+ 466.09444 213.1
[M+NH4]+ 461.13904 202.6
[M+K]+ 482.06838 205.4
[M-H]- 442.09794 205.2
[M+Na-2H]- 464.07989 209.2
[M]+ 443.10467 201.6
[M]- 443.10577 201.6
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.