CID 5124199

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

Structural Information

Molecular Formula
C25H25Cl2N3O2
SMILES
CC1=NC(=CC=C1)NC(=O)C2=C(NC3=C(C2C4=C(C=C(C=C4)Cl)Cl)C(=O)CC(C3)(C)C)C
InChI
InChI=1S/C25H25Cl2N3O2/c1-13-6-5-7-20(28-13)30-24(32)21-14(2)29-18-11-25(3,4)12-19(31)23(18)22(21)16-9-8-15(26)10-17(16)27/h5-10,22,29H,11-12H2,1-4H3,(H,28,30,32)
InChIKey
UKERWPKXNIMVOM-UHFFFAOYSA-N
Compound name
4-(2,4-dichlorophenyl)-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

469.1324 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 470.13968 211.4
[M+Na]+ 492.12162 220.8
[M-H]- 468.12512 217.3
[M+NH4]+ 487.16622 220.7
[M+K]+ 508.09556 212.1
[M+H-H2O]+ 452.12966 201.7
[M+HCOO]- 514.13060 215.7
[M+CH3COO]- 528.14625 218.7
[M+Na-2H]- 490.10707 209.6
[M]+ 469.13185 212.8
[M]- 469.13295 212.8
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.