CID 54703727

4-hydroxy-2-oxo-1-pentyl-n-(pyridin-2-ylmethyl)-1,2-dihydroquinoline-3-carboxamide

Structural Information

Molecular Formula
C21H23N3O3
SMILES
CCCCCN1C2=CC=CC=C2C(=C(C1=O)C(=O)NCC3=CC=CC=N3)O
InChI
InChI=1S/C21H23N3O3/c1-2-3-8-13-24-17-11-5-4-10-16(17)19(25)18(21(24)27)20(26)23-14-15-9-6-7-12-22-15/h4-7,9-12,25H,2-3,8,13-14H2,1H3,(H,23,26)
InChIKey
LERMIPDQTUVJBE-UHFFFAOYSA-N
Compound name
4-hydroxy-2-oxo-1-pentyl-N-(pyridin-2-ylmethyl)quinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

365.17395 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.181226 188.8
[M+Na]+ 388.163168 195.8
[M-H]- 364.166674 192.2
[M+NH4]+ 383.207773 198.4
[M+K]+ 404.137108 189.6
[M+H-H2O]+ 348.171210 178.3
[M+HCOO]- 410.172151 207.1
[M+CH3COO]- 424.187801 218.3
[M+Na-2H]- 386.148616 192.4
[M]+ 365.17340142 191.0
[M]- 365.17449858 191.0
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.