CID 485060

Chembl86618

Structural Information

Molecular Formula
C17H15N3O2
SMILES
COC1=CC=CC=C1CNC(=O)C2=CN=C3C=NC=CC3=C2
InChI
InChI=1S/C17H15N3O2/c1-22-16-5-3-2-4-13(16)9-20-17(21)14-8-12-6-7-18-11-15(12)19-10-14/h2-8,10-11H,9H2,1H3,(H,20,21)
InChIKey
VFDLOCUZQGMTLA-UHFFFAOYSA-N
Compound name
N-[(2-methoxyphenyl)methyl]-1,7-naphthyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

293.11642 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.