CID 484991

N-[(3-methoxyphenyl)methyl]-1,6-naphthyridine-2-carboxamide

Structural Information

Molecular Formula
C17H15N3O2
SMILES
COC1=CC=CC(=C1)CNC(=O)C2=NC3=C(C=C2)C=NC=C3
InChI
InChI=1S/C17H15N3O2/c1-22-14-4-2-3-12(9-14)10-19-17(21)16-6-5-13-11-18-8-7-15(13)20-16/h2-9,11H,10H2,1H3,(H,19,21)
InChIKey
OAWYBCAUTQPDAI-UHFFFAOYSA-N
Compound name
N-[(3-methoxyphenyl)methyl]-1,6-naphthyridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

22
Patents

293.11642 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.123696 167.3
[M+Na]+ 316.105638 174.8
[M-H]- 292.109144 172.1
[M+NH4]+ 311.150243 180.2
[M+K]+ 332.079578 170.0
[M+H-H2O]+ 276.113680 157.1
[M+HCOO]- 338.114621 188.3
[M+CH3COO]- 352.130271 178.1
[M+Na-2H]- 314.091086 175.0
[M]+ 293.11587142 168.5
[M]- 293.11696858 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

patents stripe