CID 393631

Nsc695839

Structural Information

Molecular Formula
C14H12ClN3O
SMILES
CC(C)C1=NC2=C(C=C3C=CC=NC3=C2Cl)NC1=O
InChI
InChI=1S/C14H12ClN3O/c1-7(2)11-14(19)17-9-6-8-4-3-5-16-12(8)10(15)13(9)18-11/h3-7H,1-2H3,(H,17,19)
InChIKey
YVLHHQVCPCBZRW-UHFFFAOYSA-N
Compound name
5-chloro-3-propan-2-yl-1H-pyrido[2,3-g]quinoxalin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

273.0669 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.074176 158.7
[M+Na]+ 296.056118 171.7
[M-H]- 272.059624 159.6
[M+NH4]+ 291.100723 173.8
[M+K]+ 312.030058 164.3
[M+H-H2O]+ 256.064160 150.7
[M+HCOO]- 318.065101 171.7
[M+CH3COO]- 332.080751 170.5
[M+Na-2H]- 294.041566 166.6
[M]+ 273.06635142 162.7
[M]- 273.06744858 162.7
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.