CID 657038

3-(4-chlorophenyl)quinoxaline-5-carboxamide

Structural Information

Molecular Formula
C15H10ClN3O
SMILES
C1=CC(=C2C(=C1)N=CC(=N2)C3=CC=C(C=C3)Cl)C(=O)N
InChI
InChI=1S/C15H10ClN3O/c16-10-6-4-9(5-7-10)13-8-18-12-3-1-2-11(15(17)20)14(12)19-13/h1-8H,(H2,17,20)
InChIKey
FLYGLPYJEQPCFY-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)quinoxaline-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

113
Patents

283.05124 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.05852 162.0
[M+Na]+ 306.04046 172.2
[M-H]- 282.04396 166.7
[M+NH4]+ 301.08506 176.4
[M+K]+ 322.01440 165.4
[M+H-H2O]+ 266.04850 153.2
[M+HCOO]- 328.04944 178.3
[M+CH3COO]- 342.06509 173.5
[M+Na-2H]- 304.02591 168.5
[M]+ 283.05069 163.0
[M]- 283.05179 163.0
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

patents stripe