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 151.6
[M+Na]+ 273.04012 162.7
[M-H]- 249.04362 153.9
[M+NH4]+ 268.08472 168.6
[M+K]+ 289.01406 158.3
[M+H-H2O]+ 233.04816 144.6
[M+HCOO]- 295.04910 167.4
[M+CH3COO]- 309.06475 193.8
[M+Na-2H]- 271.02557 157.8
[M]+ 250.05035 157.0
[M]- 250.05145 157.0
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