CID 6320221

Ethyl 3-(6,7-dichloro-3-oxo-4h-quinoxalin-2-yl)propanoate

Structural Information

Molecular Formula
C13H12Cl2N2O3
SMILES
CCOC(=O)CCC1=NC2=CC(=C(C=C2NC1=O)Cl)Cl
InChI
InChI=1S/C13H12Cl2N2O3/c1-2-20-12(18)4-3-9-13(19)17-11-6-8(15)7(14)5-10(11)16-9/h5-6H,2-4H2,1H3,(H,17,19)
InChIKey
KDSUBEBZTZTKEY-UHFFFAOYSA-N
Compound name
ethyl 3-(6,7-dichloro-3-oxo-4H-quinoxalin-2-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.0225 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.02978 162.7
[M+Na]+ 337.01172 174.1
[M-H]- 313.01522 163.1
[M+NH4]+ 332.05632 177.0
[M+K]+ 352.98566 167.7
[M+H-H2O]+ 297.01976 156.5
[M+HCOO]- 359.02070 172.0
[M+CH3COO]- 373.03635 201.3
[M+Na-2H]- 334.99717 166.6
[M]+ 314.02195 168.8
[M]- 314.02305 168.8
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.