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

10
Patents

321.14774 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.15502 176.3
[M+Na]+ 344.13696 182.9
[M-H]- 320.14046 180.7
[M+NH4]+ 339.18156 188.1
[M+K]+ 360.11090 177.6
[M+H-H2O]+ 304.14500 165.7
[M+HCOO]- 366.14594 196.6
[M+CH3COO]- 380.16159 210.7
[M+Na-2H]- 342.12241 183.0
[M]+ 321.14719 178.2
[M]- 321.14829 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

No patent data available for this compound.