CID 488814

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

Structural Information

Molecular Formula
C17H14N4O
SMILES
C1=CC=C(C=C1)CCC2=NC3=CC=CC=C3N4C2=NNC4=O
InChI
InChI=1S/C17H14N4O/c22-17-20-19-16-14(11-10-12-6-2-1-3-7-12)18-13-8-4-5-9-15(13)21(16)17/h1-9H,10-11H2,(H,20,22)
InChIKey
ZROZYHHTMCXKOB-UHFFFAOYSA-N
Compound name
4-(2-phenylethyl)-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

290.11676 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.124036 167.3
[M+Na]+ 313.105978 178.8
[M-H]- 289.109484 170.1
[M+NH4]+ 308.150583 180.5
[M+K]+ 329.079918 170.8
[M+H-H2O]+ 273.114020 156.9
[M+HCOO]- 335.114961 185.7
[M+CH3COO]- 349.130611 178.3
[M+Na-2H]- 311.091426 174.9
[M]+ 290.11621142 169.0
[M]- 290.11730858 169.0
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.