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

7
Patents

252.03017 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.037446 148.8
[M+Na]+ 275.019388 160.5
[M-H]- 251.022894 151.3
[M+NH4]+ 270.063993 165.6
[M+K]+ 290.993328 156.3
[M+H-H2O]+ 235.027430 141.9
[M+HCOO]- 297.028371 165.4
[M+CH3COO]- 311.044021 192.2
[M+Na-2H]- 273.004836 155.6
[M]+ 252.02962142 154.7
[M]- 252.03071858 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