CID 3067103

6-(1-oxo-4-(4-phenyl-1,2,5,6-tetrahydropyridyl)butyl)-3,4-dihydrocarbostyril

Structural Information

Molecular Formula
C24H26N2O2
SMILES
C1CC(=O)NC2=C1C=C(C=C2)C(=O)CCCN3CCC(=CC3)C4=CC=CC=C4
InChI
InChI=1S/C24H26N2O2/c27-23(21-8-10-22-20(17-21)9-11-24(28)25-22)7-4-14-26-15-12-19(13-16-26)18-5-2-1-3-6-18/h1-3,5-6,8,10,12,17H,4,7,9,11,13-16H2,(H,25,28)
InChIKey
RKXYUCZLLREYFR-UHFFFAOYSA-N
Compound name
6-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butanoyl]-3,4-dihydro-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

374.19943 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.20671 194.1
[M+Na]+ 397.18865 208.1
[M+NH4]+ 392.23325 201.5
[M+K]+ 413.16259 198.9
[M-H]- 373.19215 199.5
[M+Na-2H]- 395.17410 201.5
[M]+ 374.19888 197.6
[M]- 374.19998 197.6
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

patents stripe