CID 484992

Chembl100978

Structural Information

Molecular Formula

C₁₇H₁₅N₃O₂

SMILES

COC1=CC=C(C=C1)CNC(=O)C2=NC3=C(C=C2)C=NC=C3

InChI

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

InChIKey

YGBYBGKYBCZONX-UHFFFAOYSA-N

Compound name

N-[(4-methoxyphenyl)methyl]-1,6-naphthyridine-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 293.11642 Da
Monoisotopic Mass: 2.2
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