CID 3613489

361193-67-1

Structural Information

Molecular Formula
C23H23N3O4
SMILES
CC1=C(C(C2=C(N1)CCCC2=O)C3=CC(=C(C=C3)O)OC)C(=O)NC4=CC=CC=N4
InChI
InChI=1S/C23H23N3O4/c1-13-20(23(29)26-19-8-3-4-11-24-19)21(14-9-10-16(27)18(12-14)30-2)22-15(25-13)6-5-7-17(22)28/h3-4,8-12,21,25,27H,5-7H2,1-2H3,(H,24,26,29)
InChIKey
PUWBURISCOOYRL-UHFFFAOYSA-N
Compound name
4-(4-hydroxy-3-methoxyphenyl)-2-methyl-5-oxo-N-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

405.16885 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.17613 198.9
[M+Na]+ 428.15807 212.2
[M+NH4]+ 423.20267 204.4
[M+K]+ 444.13201 205.5
[M-H]- 404.16157 203.5
[M+Na-2H]- 426.14352 204.8
[M]+ 405.16830 201.8
[M]- 405.16940 201.8
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.