CID 483318

Chembl328450

Structural Information

Molecular Formula
C17H15N3O
SMILES
CC1=CC=CC=C1CNC(=O)C2=NC3=C(C=C2)C=NC=C3
InChI
InChI=1S/C17H15N3O/c1-12-4-2-3-5-13(12)11-19-17(21)16-7-6-14-10-18-9-8-15(14)20-16/h2-10H,11H2,1H3,(H,19,21)
InChIKey
LKLMNPYSJYJYHZ-UHFFFAOYSA-N
Compound name
N-[(2-methylphenyl)methyl]-1,6-naphthyridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

14
Patents

277.12152 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.12880 164.3
[M+Na]+ 300.11074 172.0
[M-H]- 276.11424 169.1
[M+NH4]+ 295.15534 178.0
[M+K]+ 316.08468 166.5
[M+H-H2O]+ 260.11878 154.4
[M+HCOO]- 322.11972 185.1
[M+CH3COO]- 336.13537 175.3
[M+Na-2H]- 298.09619 172.0
[M]+ 277.12097 164.2
[M]- 277.12207 164.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.