CID 3067089

80834-61-3

Structural Information

Molecular Formula
C23H28ClN3O
SMILES
C1CC(=O)NC2=C1C=C(C=C2)CCCCN3CCN(CC3)C4=CC=CC=C4Cl
InChI
InChI=1S/C23H28ClN3O/c24-20-6-1-2-7-22(20)27-15-13-26(14-16-27)12-4-3-5-18-8-10-21-19(17-18)9-11-23(28)25-21/h1-2,6-8,10,17H,3-5,9,11-16H2,(H,25,28)
InChIKey
PQWIGXJLLNZIPJ-UHFFFAOYSA-N
Compound name
6-[4-[4-(2-chlorophenyl)piperazin-1-yl]butyl]-3,4-dihydro-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

397.19208 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.19936 199.5
[M+Na]+ 420.18130 203.6
[M-H]- 396.18480 202.1
[M+NH4]+ 415.22590 206.7
[M+K]+ 436.15524 194.4
[M+H-H2O]+ 380.18934 186.9
[M+HCOO]- 442.19028 204.4
[M+CH3COO]- 456.20593 205.1
[M+Na-2H]- 418.16675 199.0
[M]+ 397.19153 194.3
[M]- 397.19263 194.3
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