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

6
Patents

374.19943 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.206706 192.9
[M+Na]+ 397.188648 195.8
[M-H]- 373.192154 197.3
[M+NH4]+ 392.233253 201.1
[M+K]+ 413.162588 188.3
[M+H-H2O]+ 357.196690 181.0
[M+HCOO]- 419.197631 204.4
[M+CH3COO]- 433.213281 199.4
[M+Na-2H]- 395.174096 193.3
[M]+ 374.19888142 186.5
[M]- 374.19997858 186.5
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