CID 28744

Butyrophenone, 4-(4-(o-chlorophenyl)piperazinyl)-3',4',5'-trimethoxy-, dihydrochloride

Structural Information

Molecular Formula
C23H29ClN2O4
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)CCCN2CCN(CC2)C3=CC=CC=C3Cl
InChI
InChI=1S/C23H29ClN2O4/c1-28-21-15-17(16-22(29-2)23(21)30-3)20(27)9-6-10-25-11-13-26(14-12-25)19-8-5-4-7-18(19)24/h4-5,7-8,15-16H,6,9-14H2,1-3H3
InChIKey
ZEWWBXOSVSIKHH-UHFFFAOYSA-N
Compound name
4-[4-(2-chlorophenyl)piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

432.18158 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.18886 204.4
[M+Na]+ 455.17080 218.6
[M+NH4]+ 450.21540 210.4
[M+K]+ 471.14474 210.4
[M-H]- 431.17430 208.7
[M+Na-2H]- 453.15625 211.0
[M]+ 432.18103 207.9
[M]- 432.18213 207.9
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.