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]+ 366.18123 188.8
[M+Na]+ 388.16317 195.8
[M-H]- 364.16667 192.2
[M+NH4]+ 383.20777 198.4
[M+K]+ 404.13711 189.6
[M+H-H2O]+ 348.17121 178.3
[M+HCOO]- 410.17215 207.1
[M+CH3COO]- 424.18780 218.3
[M+Na-2H]- 386.14862 192.4
[M]+ 365.17340 191.0
[M]- 365.17450 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.