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 192.9
[M+Na]+ 397.18865 195.8
[M-H]- 373.19215 197.3
[M+NH4]+ 392.23325 201.1
[M+K]+ 413.16259 188.3
[M+H-H2O]+ 357.19669 181.0
[M+HCOO]- 419.19763 204.4
[M+CH3COO]- 433.21328 199.4
[M+Na-2H]- 395.17410 193.3
[M]+ 374.19888 186.5
[M]- 374.19998 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