CID 5197887

4-(2,4-dimethoxyphenyl)-2-methyl-n-(6-methylpyridin-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide

Structural Information

Molecular Formula
C25H27N3O4
SMILES
CC1=NC(=CC=C1)NC(=O)C2=C(NC3=C(C2C4=C(C=C(C=C4)OC)OC)C(=O)CCC3)C
InChI
InChI=1S/C25H27N3O4/c1-14-7-5-10-21(26-14)28-25(30)22-15(2)27-18-8-6-9-19(29)24(18)23(22)17-12-11-16(31-3)13-20(17)32-4/h5,7,10-13,23,27H,6,8-9H2,1-4H3,(H,26,28,30)
InChIKey
LMFSXHNZISUQHJ-UHFFFAOYSA-N
Compound name
4-(2,4-dimethoxyphenyl)-2-methyl-N-(6-methylpyridin-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

433.20016 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.20744 207.7
[M+Na]+ 456.18938 221.5
[M+NH4]+ 451.23398 213.2
[M+K]+ 472.16332 214.2
[M-H]- 432.19288 212.8
[M+Na-2H]- 454.17483 213.5
[M]+ 433.19961 211.0
[M]- 433.20071 211.0
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.