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: 50
Patents: 250.0509 Da
Monoisotopic Mass: 2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	251.058176	151.6
[M+Na]+	273.040118	162.7
[M-H]-	249.043624	153.9
[M+NH4]+	268.084723	168.6
[M+K]+	289.014058	158.3
[M+H-H2O]+	233.048160	144.6
[M+HCOO]-	295.049101	167.4
[M+CH3COO]-	309.064751	193.8
[M+Na-2H]-	271.025566	157.8
[M]+	250.05035142	157.0
[M]-	250.05144858	157.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe