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]+ 291.12404 167.3
[M+Na]+ 313.10598 178.8
[M-H]- 289.10948 170.1
[M+NH4]+ 308.15058 180.5
[M+K]+ 329.07992 170.8
[M+H-H2O]+ 273.11402 156.9
[M+HCOO]- 335.11496 185.7
[M+CH3COO]- 349.13061 178.3
[M+Na-2H]- 311.09143 174.9
[M]+ 290.11621 169.0
[M]- 290.11731 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.