CID 3067093

80834-65-7

Structural Information

Molecular Formula
C22H27N3O
SMILES
C1CC(=O)NC2=C1C=C(C=C2)CCCN3CCN(CC3)C4=CC=CC=C4
InChI
InChI=1S/C22H27N3O/c26-22-11-9-19-17-18(8-10-21(19)23-22)5-4-12-24-13-15-25(16-14-24)20-6-2-1-3-7-20/h1-3,6-8,10,17H,4-5,9,11-16H2,(H,23,26)
InChIKey
FJQXKTZSIVUNRD-UHFFFAOYSA-N
Compound name
6-[3-(4-phenylpiperazin-1-yl)propyl]-3,4-dihydro-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

349.21542 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.22270 189.7
[M+Na]+ 372.20464 203.8
[M+NH4]+ 367.24924 197.4
[M+K]+ 388.17858 194.1
[M-H]- 348.20814 194.9
[M+Na-2H]- 370.19009 196.9
[M]+ 349.21487 193.1
[M]- 349.21597 193.1
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