CID 400929

Nsc713613

Structural Information

Molecular Formula
C24H19N5
SMILES
CC1=CC=C(C=C1)C2=NN(C(=C2)N)C3=NC4=CC=CC=C4N=C3C5=CC=CC=C5
InChI
InChI=1S/C24H19N5/c1-16-11-13-17(14-12-16)21-15-22(25)29(28-21)24-23(18-7-3-2-4-8-18)26-19-9-5-6-10-20(19)27-24/h2-15H,25H2,1H3
InChIKey
OSAMQVGBFDFIAP-UHFFFAOYSA-N
Compound name
5-(4-methylphenyl)-2-(3-phenylquinoxalin-2-yl)pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

377.16403 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.17131 193.8
[M+Na]+ 400.15325 204.4
[M-H]- 376.15675 202.8
[M+NH4]+ 395.19785 202.0
[M+K]+ 416.12719 194.5
[M+H-H2O]+ 360.16129 180.7
[M+HCOO]- 422.16223 213.6
[M+CH3COO]- 436.17788 203.3
[M+Na-2H]- 398.13870 198.0
[M]+ 377.16348 194.0
[M]- 377.16458 194.0
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.