CID 492591

Chembl35303

Structural Information

Molecular Formula
C17H16N4O2
SMILES
COC1=CC=CC=C1CNC(=O)C2=NC3=C(C=C2)C(=NC=C3)N
InChI
InChI=1S/C17H16N4O2/c1-23-15-5-3-2-4-11(15)10-20-17(22)14-7-6-12-13(21-14)8-9-19-16(12)18/h2-9H,10H2,1H3,(H2,18,19)(H,20,22)
InChIKey
VQNPMMULGWSEGO-UHFFFAOYSA-N
Compound name
5-amino-N-[(2-methoxyphenyl)methyl]-1,6-naphthyridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

10
Patents

308.12732 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.13460 171.3
[M+Na]+ 331.11654 178.9
[M-H]- 307.12004 176.0
[M+NH4]+ 326.16114 183.4
[M+K]+ 347.09048 173.9
[M+H-H2O]+ 291.12458 161.2
[M+HCOO]- 353.12552 192.8
[M+CH3COO]- 367.14117 210.6
[M+Na-2H]- 329.10199 178.0
[M]+ 308.12677 171.4
[M]- 308.12787 171.4
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.