CID 210470

21263-24-1

Structural Information

Molecular Formula
C22H27ClN2O2
SMILES
COC(CN1CCN(CC1)CCC(=O)C2=CC=C(C=C2)Cl)C3=CC=CC=C3
InChI
InChI=1S/C22H27ClN2O2/c1-27-22(19-5-3-2-4-6-19)17-25-15-13-24(14-16-25)12-11-21(26)18-7-9-20(23)10-8-18/h2-10,22H,11-17H2,1H3
InChIKey
XTJYHDLRXVBZRJ-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-3-[4-(2-methoxy-2-phenylethyl)piperazin-1-yl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.17612 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.18340 193.4
[M+Na]+ 409.16534 196.6
[M-H]- 385.16884 198.3
[M+NH4]+ 404.20994 201.9
[M+K]+ 425.13928 190.4
[M+H-H2O]+ 369.17338 182.1
[M+HCOO]- 431.17432 203.2
[M+CH3COO]- 445.18997 218.8
[M+Na-2H]- 407.15079 192.5
[M]+ 386.17557 193.0
[M]- 386.17667 193.0
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.