CID 486230

[4-(5-phenyl-1h-[1,2,4]triazino[4,3-a]quinoxalin-2-yl)phenyl]methanol

Structural Information

Molecular Formula
C23H18N4O
SMILES
C1C(=NN=C2N1C3=CC=CC=C3N=C2C4=CC=CC=C4)C5=CC=C(C=C5)CO
InChI
InChI=1S/C23H18N4O/c28-15-16-10-12-17(13-11-16)20-14-27-21-9-5-4-8-19(21)24-22(23(27)26-25-20)18-6-2-1-3-7-18/h1-13,28H,14-15H2
InChIKey
QZSDKUDZNFNYKO-UHFFFAOYSA-N
Compound name
[4-(5-phenyl-1H-[1,2,4]triazino[4,3-a]quinoxalin-2-yl)phenyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

366.14807 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.15535 191.5
[M+Na]+ 389.13729 199.8
[M-H]- 365.14079 195.7
[M+NH4]+ 384.18189 198.5
[M+K]+ 405.11123 190.4
[M+H-H2O]+ 349.14533 177.7
[M+HCOO]- 411.14627 204.5
[M+CH3COO]- 425.16192 199.1
[M+Na-2H]- 387.12274 198.5
[M]+ 366.14752 189.2
[M]- 366.14862 189.2
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.