CID 486227

[3-(4-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-yl)phenyl]methanol

Structural Information

Molecular Formula
C22H16N4O
SMILES
C1=CC=C(C=C1)C2=NC3=CC=CC=C3N4C2=NN=C4C5=CC=CC(=C5)CO
InChI
InChI=1S/C22H16N4O/c27-14-15-7-6-10-17(13-15)21-24-25-22-20(16-8-2-1-3-9-16)23-18-11-4-5-12-19(18)26(21)22/h1-13,27H,14H2
InChIKey
ASEMXPPMFYVVFJ-UHFFFAOYSA-N
Compound name
[3-(4-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-yl)phenyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

352.13242 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.13970 185.2
[M+Na]+ 375.12164 196.1
[M-H]- 351.12514 191.1
[M+NH4]+ 370.16624 195.3
[M+K]+ 391.09558 186.9
[M+H-H2O]+ 335.12968 173.1
[M+HCOO]- 397.13062 202.5
[M+CH3COO]- 411.14627 194.9
[M+Na-2H]- 373.10709 191.4
[M]+ 352.13187 186.7
[M]- 352.13297 186.7
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.