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]+ 336.101056 177.8
[M+Na]+ 358.082998 189.7
[M-H]- 334.086504 183.9
[M+NH4]+ 353.127603 189.3
[M+K]+ 374.056938 180.9
[M+H-H2O]+ 318.091040 166.1
[M+HCOO]- 380.091981 194.6
[M+CH3COO]- 394.107631 188.6
[M+Na-2H]- 356.068446 184.1
[M]+ 335.09323142 181.5
[M]- 335.09432858 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.