CID 32073

Butyrophenone, 4-(4-(p-fluorophenyl)-1-piperazinyl)-3',4',5'-trimethoxy-, monohydrochloride

Structural Information

Molecular Formula
C23H29FN2O4
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)CCCN2CCN(CC2)C3=CC=C(C=C3)F
InChI
InChI=1S/C23H29FN2O4/c1-28-21-15-17(16-22(29-2)23(21)30-3)20(27)5-4-10-25-11-13-26(14-12-25)19-8-6-18(24)7-9-19/h6-9,15-16H,4-5,10-14H2,1-3H3
InChIKey
AAQGCMAYYKKBIV-UHFFFAOYSA-N
Compound name
4-[4-(4-fluorophenyl)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

416.21112 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.21840 202.4
[M+Na]+ 439.20034 207.2
[M-H]- 415.20384 207.0
[M+NH4]+ 434.24494 209.4
[M+K]+ 455.17428 202.8
[M+H-H2O]+ 399.20838 189.6
[M+HCOO]- 461.20932 216.6
[M+CH3COO]- 475.22497 227.9
[M+Na-2H]- 437.18579 199.8
[M]+ 416.21057 203.7
[M]- 416.21167 203.7
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.