CID 485057

Chembl315449

Structural Information

Molecular Formula

C₁₇H₁₅N₃O₂

SMILES

COC1=CC=CC=C1CNC(=O)C2=NC3=C(C=CC=N3)C=C2

InChI

InChI=1S/C17H15N3O2/c1-22-15-7-3-2-5-13(15)11-19-17(21)14-9-8-12-6-4-10-18-16(12)20-14/h2-10H,11H2,1H3,(H,19,21)

InChIKey

PWHNWRROLXWCQR-UHFFFAOYSA-N

Compound name

N-[(2-methoxyphenyl)methyl]-1,8-naphthyridine-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 7
Patents: 293.11642 Da
Monoisotopic Mass: 2.5
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]+	294.12370	167.3
[M+Na]+	316.10564	174.8
[M-H]-	292.10914	172.1
[M+NH4]+	311.15024	180.2
[M+K]+	332.07958	170.0
[M+H-H2O]+	276.11368	157.1
[M+HCOO]-	338.11462	188.3
[M+CH3COO]-	352.13027	178.1
[M+Na-2H]-	314.09109	175.0
[M]+	293.11587	168.5
[M]-	293.11697	168.5

Literature stripe

literature stripe

Patent stripe

patents stripe