CID 399104

Nsc709520

Structural Information

Molecular Formula
C23H18N4
SMILES
CC1=CC=C(C=C1)C2=NN=C3C(=NC4=CC=CC=C4N3C2)C5=CC=CC=C5
InChI
InChI=1S/C23H18N4/c1-16-11-13-17(14-12-16)20-15-27-21-10-6-5-9-19(21)24-22(23(27)26-25-20)18-7-3-2-4-8-18/h2-14H,15H2,1H3
InChIKey
XDONRLKNFFUDST-UHFFFAOYSA-N
Compound name
2-(4-methylphenyl)-5-phenyl-1H-[1,2,4]triazino[4,3-a]quinoxaline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

350.15314 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.16042 189.3
[M+Na]+ 373.14236 198.2
[M-H]- 349.14586 194.6
[M+NH4]+ 368.18696 197.7
[M+K]+ 389.11630 188.8
[M+H-H2O]+ 333.15040 175.1
[M+HCOO]- 395.15134 203.5
[M+CH3COO]- 409.16699 197.6
[M+Na-2H]- 371.12781 196.3
[M]+ 350.15259 187.3
[M]- 350.15369 187.3
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.