CID 2893205

4-(3-methoxyphenyl)-2,7,7-trimethyl-n-(6-methyl-2-pyridinyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide

Structural Information

Molecular Formula
C26H29N3O3
SMILES
CC1=NC(=CC=C1)NC(=O)C2=C(NC3=C(C2C4=CC(=CC=C4)OC)C(=O)CC(C3)(C)C)C
InChI
InChI=1S/C26H29N3O3/c1-15-8-6-11-21(27-15)29-25(31)22-16(2)28-19-13-26(3,4)14-20(30)24(19)23(22)17-9-7-10-18(12-17)32-5/h6-12,23,28H,13-14H2,1-5H3,(H,27,29,31)
InChIKey
QSLYUBGFUKGBIS-UHFFFAOYSA-N
Compound name
4-(3-methoxyphenyl)-2,7,7-trimethyl-N-(6-methylpyridin-2-yl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

431.2209 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.22818 208.8
[M+Na]+ 454.21012 215.5
[M-H]- 430.21362 215.2
[M+NH4]+ 449.25472 217.7
[M+K]+ 470.18406 209.2
[M+H-H2O]+ 414.21816 197.4
[M+HCOO]- 476.21910 222.1
[M+CH3COO]- 490.23475 233.8
[M+Na-2H]- 452.19557 208.3
[M]+ 431.22035 207.4
[M]- 431.22145 207.4
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.