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

literature stripe

Patent stripe

patents stripe