CID 118457

33331-59-8

Structural Information

Molecular Formula

C₁₄H₁₆N₂O₃

SMILES

CCN1C=C(C(=O)C2=C1N=C(C=C2)C)C(=O)OCC

InChI

InChI=1S/C14H16N2O3/c1-4-16-8-11(14(18)19-5-2)12(17)10-7-6-9(3)15-13(10)16/h6-8H,4-5H2,1-3H3

InChIKey

WZPCSVBNEQYORT-UHFFFAOYSA-N

Compound name

ethyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 6
Patents: 260.1161 Da
Monoisotopic Mass: 1.6
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]+	261.123376	157.7
[M+Na]+	283.105318	168.3
[M-H]-	259.108824	160.3
[M+NH4]+	278.149923	173.6
[M+K]+	299.079258	165.0
[M+H-H2O]+	243.113360	149.8
[M+HCOO]-	305.114301	177.8
[M+CH3COO]-	319.129951	198.7
[M+Na-2H]-	281.090766	162.5
[M]+	260.11555142	163.0
[M]-	260.11664858	163.0

Literature stripe

literature stripe

Patent stripe

patents stripe