CID 280009

66307-62-8

Structural Information

Molecular Formula
C20H25ClN2O3
SMILES
COC1=CC=C(C=C1)N2CCN(CC2)CC(COC3=CC=C(C=C3)Cl)O
InChI
InChI=1S/C20H25ClN2O3/c1-25-19-8-4-17(5-9-19)23-12-10-22(11-13-23)14-18(24)15-26-20-6-2-16(21)3-7-20/h2-9,18,24H,10-15H2,1H3
InChIKey
BOBFMTXLDXLPHI-UHFFFAOYSA-N
Compound name
1-(4-chlorophenoxy)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

376.15536 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.16264 190.1
[M+Na]+ 399.14458 204.1
[M+NH4]+ 394.18918 197.1
[M+K]+ 415.11852 196.0
[M-H]- 375.14808 194.6
[M+Na-2H]- 397.13003 197.8
[M]+ 376.15481 193.6
[M]- 376.15591 193.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.