CID 203810

4'-chloro-2-(4-(beta-methoxyphenethyl)-1-piperazinyl)acetophenone dihydrochloride

Structural Information

Molecular Formula
C21H25ClN2O2
SMILES
COC(CN1CCN(CC1)CC(=O)C2=CC=C(C=C2)Cl)C3=CC=CC=C3
InChI
InChI=1S/C21H25ClN2O2/c1-26-21(18-5-3-2-4-6-18)16-24-13-11-23(12-14-24)15-20(25)17-7-9-19(22)10-8-17/h2-10,21H,11-16H2,1H3
InChIKey
YRCWFHYIYPMZPD-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-2-[4-(2-methoxy-2-phenylethyl)piperazin-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.16046 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.16774 189.0
[M+Na]+ 395.14968 192.7
[M-H]- 371.15318 194.0
[M+NH4]+ 390.19428 198.0
[M+K]+ 411.12362 186.7
[M+H-H2O]+ 355.15772 177.9
[M+HCOO]- 417.15866 199.1
[M+CH3COO]- 431.17431 215.9
[M+Na-2H]- 393.13513 188.6
[M]+ 372.15991 188.3
[M]- 372.16101 188.3
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.