CID 210454

Propiophenone, 4'-fluoro-3-(4-(beta-methoxyphenethyl)-1-piperazinyl)-2-methyl-, dihydrochloride

Structural Information

Molecular Formula
C23H29FN2O2
SMILES
CC(CN1CCN(CC1)CC(C2=CC=CC=C2)OC)C(=O)C3=CC=C(C=C3)F
InChI
InChI=1S/C23H29FN2O2/c1-18(23(27)20-8-10-21(24)11-9-20)16-25-12-14-26(15-13-25)17-22(28-2)19-6-4-3-5-7-19/h3-11,18,22H,12-17H2,1-2H3
InChIKey
HAWXJFRGDMXVCW-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-3-[4-(2-methoxy-2-phenylethyl)piperazin-1-yl]-2-methylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.2213 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.22858 195.2
[M+Na]+ 407.21052 197.0
[M-H]- 383.21402 198.8
[M+NH4]+ 402.25512 202.6
[M+K]+ 423.18446 192.1
[M+H-H2O]+ 367.21856 182.6
[M+HCOO]- 429.21950 207.1
[M+CH3COO]- 443.23515 221.7
[M+Na-2H]- 405.19597 192.4
[M]+ 384.22075 191.2
[M]- 384.22185 191.2
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.