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

15
Patents

323.12698 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.134256 174.7
[M+Na]+ 346.116198 182.2
[M-H]- 322.119704 178.3
[M+NH4]+ 341.160803 185.8
[M+K]+ 362.090138 176.6
[M+H-H2O]+ 306.124240 164.6
[M+HCOO]- 368.125181 194.1
[M+CH3COO]- 382.140831 208.2
[M+Na-2H]- 344.101646 180.7
[M]+ 323.12643142 175.5
[M]- 323.12752858 175.5
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