CID 3050226

Propiophenone, 4'-(4-(4-phenyl-1-piperazinyl)butoxy)-, dihydrochloride

Structural Information

Molecular Formula
C23H30N2O2
SMILES
CCC(=O)C1=CC=C(C=C1)OCCCCN2CCN(CC2)C3=CC=CC=C3
InChI
InChI=1S/C23H30N2O2/c1-2-23(26)20-10-12-22(13-11-20)27-19-7-6-14-24-15-17-25(18-16-24)21-8-4-3-5-9-21/h3-5,8-13H,2,6-7,14-19H2,1H3
InChIKey
WJTHCRMNRFYHEQ-UHFFFAOYSA-N
Compound name
1-[4-[4-(4-phenylpiperazin-1-yl)butoxy]phenyl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.23074 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.238016 192.7
[M+Na]+ 389.219958 195.0
[M-H]- 365.223464 197.4
[M+NH4]+ 384.264563 201.1
[M+K]+ 405.193898 189.5
[M+H-H2O]+ 349.228000 180.6
[M+HCOO]- 411.228941 207.7
[M+CH3COO]- 425.244591 217.4
[M+Na-2H]- 387.205406 192.7
[M]+ 366.23019142 190.8
[M]- 366.23128858 190.8
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.