CID 399098

Nsc709514

Structural Information

Molecular Formula
C21H14N4
SMILES
C1=CC=C(C=C1)C2=NC3=CC=CC=C3N4C2=NN=C4C5=CC=CC=C5
InChI
InChI=1S/C21H14N4/c1-3-9-15(10-4-1)19-21-24-23-20(16-11-5-2-6-12-16)25(21)18-14-8-7-13-17(18)22-19/h1-14H
InChIKey
SPNAOPSBWPFKQE-UHFFFAOYSA-N
Compound name
1,4-diphenyl-[1,2,4]triazolo[4,3-a]quinoxaline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

322.12186 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.12914 177.2
[M+Na]+ 345.11108 188.3
[M-H]- 321.11458 184.0
[M+NH4]+ 340.15568 188.9
[M+K]+ 361.08502 179.3
[M+H-H2O]+ 305.11912 164.7
[M+HCOO]- 367.12006 196.1
[M+CH3COO]- 381.13571 187.8
[M+Na-2H]- 343.09653 184.9
[M]+ 322.12131 178.3
[M]- 322.12241 178.3
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.