CID 3067108

6-(1-hydroxy-2-(4-(3-chlorophenyl)-1-piperazinyl)butyl)carbostyril

Structural Information

Molecular Formula
C23H26ClN3O2
SMILES
CCC(C(C1=CC2=C(C=C1)NC(=O)C=C2)O)N3CCN(CC3)C4=CC(=CC=C4)Cl
InChI
InChI=1S/C23H26ClN3O2/c1-2-21(23(29)17-6-8-20-16(14-17)7-9-22(28)25-20)27-12-10-26(11-13-27)19-5-3-4-18(24)15-19/h3-9,14-15,21,23,29H,2,10-13H2,1H3,(H,25,28)
InChIKey
ICWSMYGKPDHCFJ-UHFFFAOYSA-N
Compound name
6-[2-[4-(3-chlorophenyl)piperazin-1-yl]-1-hydroxybutyl]-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

411.17136 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.17864 198.0
[M+Na]+ 434.16058 202.9
[M-H]- 410.16408 200.5
[M+NH4]+ 429.20518 204.0
[M+K]+ 450.13452 194.4
[M+H-H2O]+ 394.16862 186.6
[M+HCOO]- 456.16956 202.6
[M+CH3COO]- 470.18521 203.9
[M+Na-2H]- 432.14603 197.6
[M]+ 411.17081 194.5
[M]- 411.17191 194.5
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