CID 492588

Chembl38317

Structural Information

Molecular Formula
C17H15N3O3
SMILES
COC1=CC=CC=C1CNC(=O)C2=NC3=C(C=C2)C=[N+](C=C3)[O-]
InChI
InChI=1S/C17H15N3O3/c1-23-16-5-3-2-4-12(16)10-18-17(21)15-7-6-13-11-20(22)9-8-14(13)19-15/h2-9,11H,10H2,1H3,(H,18,21)
InChIKey
PLBFXTSLNWORCW-UHFFFAOYSA-N
Compound name
N-[(2-methoxyphenyl)methyl]-6-oxido-1,6-naphthyridin-6-ium-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

309.11133 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.11861 170.4
[M+Na]+ 332.10055 177.2
[M-H]- 308.10405 174.1
[M+NH4]+ 327.14515 181.6
[M+K]+ 348.07449 167.6
[M+H-H2O]+ 292.10859 165.0
[M+HCOO]- 354.10953 190.4
[M+CH3COO]- 368.12518 197.9
[M+Na-2H]- 330.08600 179.1
[M]+ 309.11078 169.4
[M]- 309.11188 169.4
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

No patent data available for this compound.