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

3
Patents

380.21 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.21728 192.8
[M+Na]+ 403.19922 194.2
[M-H]- 379.20272 195.6
[M+NH4]+ 398.24382 200.0
[M+K]+ 419.17316 187.7
[M+H-H2O]+ 363.20726 181.3
[M+HCOO]- 425.20820 201.7
[M+CH3COO]- 439.22385 198.4
[M+Na-2H]- 401.18467 192.6
[M]+ 380.20945 185.1
[M]- 380.21055 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