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 177.5
[M+Na]+ 358.08300 196.6
[M+NH4]+ 353.12760 186.0
[M+K]+ 374.05694 188.2
[M-H]- 334.08650 183.9
[M+Na-2H]- 356.06845 189.3
[M]+ 335.09323 182.6
[M]- 335.09433 182.6
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.