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

literature stripe

Patent stripe

patents stripe