CID 28746

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

Structural Information

Molecular Formula
C24H32N2O5
SMILES
COC1=CC=CC=C1N2CCN(CC2)CCCC(=O)C3=CC(=C(C(=C3)OC)OC)OC
InChI
InChI=1S/C24H32N2O5/c1-28-21-10-6-5-8-19(21)26-14-12-25(13-15-26)11-7-9-20(27)18-16-22(29-2)24(31-4)23(17-18)30-3/h5-6,8,10,16-17H,7,9,11-15H2,1-4H3
InChIKey
AFJXHWKCYUGBDP-UHFFFAOYSA-N
Compound name
4-[4-(2-methoxyphenyl)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

428.2311 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.23838 206.2
[M+Na]+ 451.22032 218.9
[M+NH4]+ 446.26492 211.1
[M+K]+ 467.19426 211.9
[M-H]- 427.22382 209.9
[M+Na-2H]- 449.20577 212.0
[M]+ 428.23055 208.9
[M]- 428.23165 208.9
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.