CID 10562672

Ethyl 4-chloro-7-methyl-1,8-naphthyridine-3-carboxylate

Structural Information

Molecular Formula
C12H11ClN2O2
SMILES
CCOC(=O)C1=CN=C2C(=C1Cl)C=CC(=N2)C
InChI
InChI=1S/C12H11ClN2O2/c1-3-17-12(16)9-6-14-11-8(10(9)13)5-4-7(2)15-11/h4-6H,3H2,1-2H3
InChIKey
HKTABMXYYNWMQH-UHFFFAOYSA-N
Compound name
ethyl 4-chloro-7-methyl-1,8-naphthyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

250.0509 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.05818 152.0
[M+Na]+ 273.04012 167.7
[M+NH4]+ 268.08472 160.2
[M+K]+ 289.01406 160.3
[M-H]- 249.04362 153.6
[M+Na-2H]- 271.02557 158.7
[M]+ 250.05035 155.1
[M]- 250.05145 155.1
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