CID 210446

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

Structural Information

Molecular Formula
C23H29ClN2O2
SMILES
CC(CN1CCN(CC1)CC(C2=CC=CC=C2)OC)C(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C23H29ClN2O2/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
DEVNMDYCQMODCA-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-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

400.19174 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.19902 196.9
[M+Na]+ 423.18096 199.4
[M-H]- 399.18446 201.7
[M+NH4]+ 418.22556 204.7
[M+K]+ 439.15490 193.5
[M+H-H2O]+ 383.18900 185.7
[M+HCOO]- 445.18994 205.4
[M+CH3COO]- 459.20559 222.6
[M+Na-2H]- 421.16641 194.5
[M]+ 400.19119 196.4
[M]- 400.19229 196.4
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.