CID 6320218

Cyclobutylmethyl 6,7-dichloro-3-oxo-4h-quinoxaline-2-carboxylate

Structural Information

Molecular Formula
C14H12Cl2N2O3
SMILES
C1CC(C1)COC(=O)C2=NC3=CC(=C(C=C3NC2=O)Cl)Cl
InChI
InChI=1S/C14H12Cl2N2O3/c15-8-4-10-11(5-9(8)16)18-13(19)12(17-10)14(20)21-6-7-2-1-3-7/h4-5,7H,1-3,6H2,(H,18,19)
InChIKey
RPHYWXXBYMZIFK-UHFFFAOYSA-N
Compound name
cyclobutylmethyl 6,7-dichloro-3-oxo-4H-quinoxaline-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.0225 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.02978 159.6
[M+Na]+ 349.01172 169.2
[M-H]- 325.01522 162.3
[M+NH4]+ 344.05632 166.9
[M+K]+ 364.98566 165.8
[M+H-H2O]+ 309.01976 147.6
[M+HCOO]- 371.02070 167.3
[M+CH3COO]- 385.03635 205.3
[M+Na-2H]- 346.99717 163.0
[M]+ 326.02195 171.7
[M]- 326.02305 171.7
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.