CID 492593

Chembl35462

Structural Information

Molecular Formula
C18H17N3O3
SMILES
COC1=CC=CC=C1CNC(=O)C2=NC3=C(C=C2)C(=NC=C3)OC
InChI
InChI=1S/C18H17N3O3/c1-23-16-6-4-3-5-12(16)11-20-17(22)15-8-7-13-14(21-15)9-10-19-18(13)24-2/h3-10H,11H2,1-2H3,(H,20,22)
InChIKey
DMZIOYGGOBJGKS-UHFFFAOYSA-N
Compound name
5-methoxy-N-[(2-methoxyphenyl)methyl]-1,6-naphthyridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

323.12698 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.13426 175.3
[M+Na]+ 346.11620 183.0
[M-H]- 322.11970 180.3
[M+NH4]+ 341.16080 187.2
[M+K]+ 362.09014 178.8
[M+H-H2O]+ 306.12424 164.9
[M+HCOO]- 368.12518 196.1
[M+CH3COO]- 382.14083 211.1
[M+Na-2H]- 344.10165 181.8
[M]+ 323.12643 178.7
[M]- 323.12753 178.7
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.