CID 485007

Chembl318339

Structural Information

Molecular Formula
C21H21N3O2
SMILES
CC(C)OC1=CC=CC=C1CNC(=O)C2=NC3=C(C=NC=C3C=C2)C=C
InChI
InChI=1S/C21H21N3O2/c1-4-15-11-22-12-17-9-10-18(24-20(15)17)21(25)23-13-16-7-5-6-8-19(16)26-14(2)3/h4-12,14H,1,13H2,2-3H3,(H,23,25)
InChIKey
JYZJTVZGNKIJMJ-UHFFFAOYSA-N
Compound name
8-ethenyl-N-[(2-propan-2-yloxyphenyl)methyl]-1,6-naphthyridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

347.1634 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.17068 185.0
[M+Na]+ 370.15262 191.5
[M-H]- 346.15612 189.5
[M+NH4]+ 365.19722 195.7
[M+K]+ 386.12656 185.9
[M+H-H2O]+ 330.16066 174.4
[M+HCOO]- 392.16160 203.7
[M+CH3COO]- 406.17725 217.9
[M+Na-2H]- 368.13807 188.6
[M]+ 347.16285 186.6
[M]- 347.16395 186.6
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