CID 9831581

Cp-457920

Structural Information

Molecular Formula
C18H17N3O3
SMILES
CCOC1=NC2=C(C=C1)NC=C(C2=O)C(=O)NCC3=CC=CC=C3
InChI
InChI=1S/C18H17N3O3/c1-2-24-15-9-8-14-16(21-15)17(22)13(11-19-14)18(23)20-10-12-6-4-3-5-7-12/h3-9,11H,2,10H2,1H3,(H,19,22)(H,20,23)
InChIKey
DGFVZQGXKQCQGK-UHFFFAOYSA-N
Compound name
N-benzyl-6-ethoxy-4-oxo-1H-1,5-naphthyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

323.12698 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.13426 175.3
[M+Na]+ 346.11620 189.5
[M+NH4]+ 341.16080 181.6
[M+K]+ 362.09014 182.3
[M-H]- 322.11970 178.5
[M+Na-2H]- 344.10165 182.9
[M]+ 323.12643 178.1
[M]- 323.12753 178.1
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