CID 478516

Chembl96734

Structural Information

Molecular Formula
C19H19N3O2
SMILES
CC(C)OC1=CC=CC=C1CNC(=O)C2=NC3=C(C=C2)C=NC=C3
InChI
InChI=1S/C19H19N3O2/c1-13(2)24-18-6-4-3-5-15(18)12-21-19(23)17-8-7-14-11-20-10-9-16(14)22-17/h3-11,13H,12H2,1-2H3,(H,21,23)
InChIKey
UAKMQXXMNQVUIY-UHFFFAOYSA-N
Compound name
N-[(2-propan-2-yloxyphenyl)methyl]-1,6-naphthyridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

321.14774 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.155016 176.5
[M+Na]+ 344.136958 182.7
[M-H]- 320.140464 181.0
[M+NH4]+ 339.181563 188.1
[M+K]+ 360.110898 178.0
[M+H-H2O]+ 304.145000 166.0
[M+HCOO]- 366.145941 195.7
[M+CH3COO]- 380.161591 211.6
[M+Na-2H]- 342.122406 182.0
[M]+ 321.14719142 177.8
[M]- 321.14828858 177.8
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.