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]+ 322.15502 176.5
[M+Na]+ 344.13696 182.7
[M-H]- 320.14046 181.0
[M+NH4]+ 339.18156 188.1
[M+K]+ 360.11090 178.0
[M+H-H2O]+ 304.14500 166.0
[M+HCOO]- 366.14594 195.7
[M+CH3COO]- 380.16159 211.6
[M+Na-2H]- 342.12241 182.0
[M]+ 321.14719 177.8
[M]- 321.14829 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.