CID 15604105

Schembl6046298

Structural Information

Molecular Formula

C₁₂H₁₄N₂O₃

SMILES

CCN1CC(C(=O)C2=C1N=C(C=C2)C)C(=O)O

InChI

InChI=1S/C12H14N2O3/c1-3-14-6-9(12(16)17)10(15)8-5-4-7(2)13-11(8)14/h4-5,9H,3,6H2,1-2H3,(H,16,17)

InChIKey

BTWKIULTHOSUDJ-UHFFFAOYSA-N

Compound name

1-ethyl-7-methyl-4-oxo-2,3-dihydro-1,8-naphthyridine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 234.10045 Da
Monoisotopic Mass: 1.9
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]+	235.107726	151.4
[M+Na]+	257.089668	160.3
[M-H]-	233.093174	152.1
[M+NH4]+	252.134273	167.3
[M+K]+	273.063608	157.0
[M+H-H2O]+	217.097710	144.2
[M+HCOO]-	279.098651	167.7
[M+CH3COO]-	293.114301	191.5
[M+Na-2H]-	255.075116	154.8
[M]+	234.09990142	151.3
[M]-	234.10099858	151.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe