CID 399102

2,5-diphenyl-1h-[1,2,4]triazino[4,3-a]quinoxaline

Structural Information

Molecular Formula
C22H16N4
SMILES
C1C(=NN=C2N1C3=CC=CC=C3N=C2C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C22H16N4/c1-3-9-16(10-4-1)19-15-26-20-14-8-7-13-18(20)23-21(22(26)25-24-19)17-11-5-2-6-12-17/h1-14H,15H2
InChIKey
ALCAMMCRKMYAHH-UHFFFAOYSA-N
Compound name
2,5-diphenyl-1H-[1,2,4]triazino[4,3-a]quinoxaline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

336.13748 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.14476 183.4
[M+Na]+ 359.12670 191.9
[M-H]- 335.13020 188.5
[M+NH4]+ 354.17130 192.0
[M+K]+ 375.10064 182.6
[M+H-H2O]+ 319.13474 169.2
[M+HCOO]- 381.13568 198.0
[M+CH3COO]- 395.15133 191.8
[M+Na-2H]- 357.11215 191.9
[M]+ 336.13693 180.7
[M]- 336.13803 180.7
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.