CID 3932782

Ethyl 7-chloro-4-oxo-4h-pyrido[1,2-a]pyrimidine-3-carboxylate

Structural Information

Molecular Formula
C11H9ClN2O3
SMILES
CCOC(=O)C1=CN=C2C=CC(=CN2C1=O)Cl
InChI
InChI=1S/C11H9ClN2O3/c1-2-17-11(16)8-5-13-9-4-3-7(12)6-14(9)10(8)15/h3-6H,2H2,1H3
InChIKey
AQDZYTGKOBFITO-UHFFFAOYSA-N
Compound name
ethyl 7-chloro-4-oxopyrido[1,2-a]pyrimidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

252.03017 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.03745 148.8
[M+Na]+ 275.01939 160.5
[M-H]- 251.02289 151.3
[M+NH4]+ 270.06399 165.6
[M+K]+ 290.99333 156.3
[M+H-H2O]+ 235.02743 141.9
[M+HCOO]- 297.02837 165.4
[M+CH3COO]- 311.04402 192.2
[M+Na-2H]- 273.00484 155.6
[M]+ 252.02962 154.7
[M]- 252.03072 154.7
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

patents stripe