CID 483322

Chembl91763

Structural Information

Molecular Formula
C18H17N3O2
SMILES
CN(CC1=CC=CC=C1OC)C(=O)C2=NC3=C(C=C2)C=NC=C3
InChI
InChI=1S/C18H17N3O2/c1-21(12-14-5-3-4-6-17(14)23-2)18(22)16-8-7-13-11-19-10-9-15(13)20-16/h3-11H,12H2,1-2H3
InChIKey
GJDNZUHLSLOTHA-UHFFFAOYSA-N
Compound name
N-[(2-methoxyphenyl)methyl]-N-methyl-1,6-naphthyridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

307.13208 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.13936 172.0
[M+Na]+ 330.12130 179.1
[M-H]- 306.12480 178.0
[M+NH4]+ 325.16590 184.9
[M+K]+ 346.09524 175.5
[M+H-H2O]+ 290.12934 161.4
[M+HCOO]- 352.13028 193.1
[M+CH3COO]- 366.14593 211.0
[M+Na-2H]- 328.10675 178.4
[M]+ 307.13153 174.7
[M]- 307.13263 174.8
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.