CID 214045

27588-47-2

Structural Information

Molecular Formula
C22H29ClN2O2
SMILES
COC(CN1CCN(CC1)CCC(C2=CC=C(C=C2)Cl)O)C3=CC=CC=C3
InChI
InChI=1S/C22H29ClN2O2/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/h2-10,21-22,26H,11-17H2,1H3
InChIKey
FWFFRODURASUOK-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-3-[4-(2-methoxy-2-phenylethyl)piperazin-1-yl]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.19174 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.19902 194.0
[M+Na]+ 411.18096 196.5
[M-H]- 387.18446 197.5
[M+NH4]+ 406.22556 201.8
[M+K]+ 427.15490 190.1
[M+H-H2O]+ 371.18900 183.0
[M+HCOO]- 433.18994 202.1
[M+CH3COO]- 447.20559 217.1
[M+Na-2H]- 409.16641 192.7
[M]+ 388.19119 192.5
[M]- 388.19229 192.5
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.