CID 3060999

7-(2-hydroxy-3-(4-phenyl-1-piperidyl)propoxy)-3,4-dihydrocarbostyril

Structural Information

Molecular Formula
C23H28N2O3
SMILES
C1CN(CCC1C2=CC=CC=C2)CC(COC3=CC4=C(CCC(=O)N4)C=C3)O
InChI
InChI=1S/C23H28N2O3/c26-20(15-25-12-10-18(11-13-25)17-4-2-1-3-5-17)16-28-21-8-6-19-7-9-23(27)24-22(19)14-21/h1-6,8,14,18,20,26H,7,9-13,15-16H2,(H,24,27)
InChIKey
CPXJWPACAUOGMV-UHFFFAOYSA-N
Compound name
7-[2-hydroxy-3-(4-phenylpiperidin-1-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

380.21 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.217276 192.8
[M+Na]+ 403.199218 194.2
[M-H]- 379.202724 195.6
[M+NH4]+ 398.243823 200.0
[M+K]+ 419.173158 187.7
[M+H-H2O]+ 363.207260 181.3
[M+HCOO]- 425.208201 201.7
[M+CH3COO]- 439.223851 198.4
[M+Na-2H]- 401.184666 192.6
[M]+ 380.20945142 185.1
[M]- 380.21054858 185.1
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