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 188.7
[M+Na]+ 399.14458 193.2
[M-H]- 375.14808 192.9
[M+NH4]+ 394.18918 197.3
[M+K]+ 415.11852 187.4
[M+H-H2O]+ 359.15262 178.0
[M+HCOO]- 421.15356 198.7
[M+CH3COO]- 435.16921 213.7
[M+Na-2H]- 397.13003 188.9
[M]+ 376.15481 189.0
[M]- 376.15591 189.0
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.