CID 400924

Nsc713608

Structural Information

Molecular Formula
C23H19N5
SMILES
CC1=CC=C(C=C1)NCC2=NN=C3N2C4=CC=CC=C4N=C3C5=CC=CC=C5
InChI
InChI=1S/C23H19N5/c1-16-11-13-18(14-12-16)24-15-21-26-27-23-22(17-7-3-2-4-8-17)25-19-9-5-6-10-20(19)28(21)23/h2-14,24H,15H2,1H3
InChIKey
IULVBMURKJVAFA-UHFFFAOYSA-N
Compound name
4-methyl-N-[(4-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-yl)methyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

365.16403 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.17131 188.8
[M+Na]+ 388.15325 198.9
[M-H]- 364.15675 195.6
[M+NH4]+ 383.19785 198.7
[M+K]+ 404.12719 189.6
[M+H-H2O]+ 348.16129 176.0
[M+HCOO]- 410.16223 208.1
[M+CH3COO]- 424.17788 198.3
[M+Na-2H]- 386.13870 195.7
[M]+ 365.16348 190.4
[M]- 365.16458 190.4
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.