CID 1872273

3-chloro-n-(3-methyl-1-phenyl-1h-pyrazol-5-yl)quinoxalin-2-amine

Structural Information

Molecular Formula
C18H14ClN5
SMILES
CC1=NN(C(=C1)NC2=NC3=CC=CC=C3N=C2Cl)C4=CC=CC=C4
InChI
InChI=1S/C18H14ClN5/c1-12-11-16(24(23-12)13-7-3-2-4-8-13)22-18-17(19)20-14-9-5-6-10-15(14)21-18/h2-11H,1H3,(H,21,22)
InChIKey
IJAMBXTZXRKPNS-UHFFFAOYSA-N
Compound name
3-chloro-N-(5-methyl-2-phenylpyrazol-3-yl)quinoxalin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

335.09378 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.10106 177.8
[M+Na]+ 358.08300 189.7
[M-H]- 334.08650 183.9
[M+NH4]+ 353.12760 189.3
[M+K]+ 374.05694 180.9
[M+H-H2O]+ 318.09104 166.1
[M+HCOO]- 380.09198 194.6
[M+CH3COO]- 394.10763 188.6
[M+Na-2H]- 356.06845 184.1
[M]+ 335.09323 181.5
[M]- 335.09433 181.5
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.