CID 657038

Refchem:457400

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
3
Annotation Hits

3
References

90
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.