CID 507350

Schembl6637093

Structural Information

Molecular Formula
C19H19N3O2
SMILES
CCCOC1=CC=CC=C1CNC(=O)C2=NC3=C(C=C2)C=NC=C3
InChI
InChI=1S/C19H19N3O2/c1-2-11-24-18-6-4-3-5-15(18)13-21-19(23)17-8-7-14-12-20-10-9-16(14)22-17/h3-10,12H,2,11,13H2,1H3,(H,21,23)
InChIKey
GCRQYGYHDZKRFP-UHFFFAOYSA-N
Compound name
N-[(2-propoxyphenyl)methyl]-1,6-naphthyridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

321.14774 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.155016 176.3
[M+Na]+ 344.136958 182.9
[M-H]- 320.140464 180.7
[M+NH4]+ 339.181563 188.1
[M+K]+ 360.110898 177.6
[M+H-H2O]+ 304.145000 165.7
[M+HCOO]- 366.145941 196.6
[M+CH3COO]- 380.161591 210.7
[M+Na-2H]- 342.122406 183.0
[M]+ 321.14719142 178.2
[M]- 321.14828858 178.2
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

patents stripe