CID 203792

4'-chloro-4-(4-(beta-ethoxyphenethyl)-1-piperazinyl)butyrophenone dihydrochloride

Structural Information

Molecular Formula
C24H31ClN2O2
SMILES
CCOC(CC1=CC=CC=C1)N2CCN(CC2)CCCC(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C24H31ClN2O2/c1-2-29-24(19-20-7-4-3-5-8-20)27-17-15-26(16-18-27)14-6-9-23(28)21-10-12-22(25)13-11-21/h3-5,7-8,10-13,24H,2,6,9,14-19H2,1H3
InChIKey
QDVKOEPDSCRPMU-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-4-[4-(1-ethoxy-2-phenylethyl)piperazin-1-yl]butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

414.2074 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.21468 202.2
[M+Na]+ 437.19662 204.5
[M-H]- 413.20012 206.6
[M+NH4]+ 432.24122 209.5
[M+K]+ 453.17056 197.8
[M+H-H2O]+ 397.20466 190.4
[M+HCOO]- 459.20560 211.3
[M+CH3COO]- 473.22125 224.6
[M+Na-2H]- 435.18207 200.2
[M]+ 414.20685 202.5
[M]- 414.20795 202.5
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

No patent data available for this compound.