CID 488813

4-benzyl-2h-[1,2,4]triazolo[4,3-a]quinoxalin-1-one

Structural Information

Molecular Formula
C16H12N4O
SMILES
C1=CC=C(C=C1)CC2=NC3=CC=CC=C3N4C2=NNC4=O
InChI
InChI=1S/C16H12N4O/c21-16-19-18-15-13(10-11-6-2-1-3-7-11)17-12-8-4-5-9-14(12)20(15)16/h1-9H,10H2,(H,19,21)
InChIKey
WGNUGBZSSLNAQB-UHFFFAOYSA-N
Compound name
4-benzyl-2H-[1,2,4]triazolo[4,3-a]quinoxalin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.1011 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.10838 162.9
[M+Na]+ 299.09032 174.9
[M-H]- 275.09382 165.8
[M+NH4]+ 294.13492 176.6
[M+K]+ 315.06426 167.0
[M+H-H2O]+ 259.09836 152.6
[M+HCOO]- 321.09930 181.6
[M+CH3COO]- 335.11495 174.3
[M+Na-2H]- 297.07577 170.9
[M]+ 276.10055 164.3
[M]- 276.10165 164.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.