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]+ 274.07418 158.7
[M+Na]+ 296.05612 171.7
[M-H]- 272.05962 159.6
[M+NH4]+ 291.10072 173.8
[M+K]+ 312.03006 164.3
[M+H-H2O]+ 256.06416 150.7
[M+HCOO]- 318.06510 171.7
[M+CH3COO]- 332.08075 170.5
[M+Na-2H]- 294.04157 166.6
[M]+ 273.06635 162.7
[M]- 273.06745 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.