CID 90825

22663-51-0

Structural Information

Molecular Formula
C22H29ClN2O2
SMILES
CC(CN1CCN(CC1)CCOC(C2=CC=CC=C2)C3=CC=C(C=C3)Cl)O
InChI
InChI=1S/C22H29ClN2O2/c1-18(26)17-25-13-11-24(12-14-25)15-16-27-22(19-5-3-2-4-6-19)20-7-9-21(23)10-8-20/h2-10,18,22,26H,11-17H2,1H3
InChIKey
YBASQCLTOXAMCS-UHFFFAOYSA-N
Compound name
1-[4-[2-[(4-chlorophenyl)-phenylmethoxy]ethyl]piperazin-1-yl]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.19174 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.19902 195.7
[M+Na]+ 411.18096 209.1
[M+NH4]+ 406.22556 202.9
[M+K]+ 427.15490 200.6
[M-H]- 387.18446 200.4
[M+Na-2H]- 409.16641 203.2
[M]+ 388.19119 199.2
[M]- 388.19229 199.2
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.