CID 3050370

4-(m-methoxyphenyl)-alpha-phenoxymethyl-1-piperazineethanol

Structural Information

Molecular Formula
C20H26N2O3
SMILES
COC1=CC=CC(=C1)N2CCN(CC2)CC(COC3=CC=CC=C3)O
InChI
InChI=1S/C20H26N2O3/c1-24-20-9-5-6-17(14-20)22-12-10-21(11-13-22)15-18(23)16-25-19-7-3-2-4-8-19/h2-9,14,18,23H,10-13,15-16H2,1H3
InChIKey
GAEVZJMONMLEOR-UHFFFAOYSA-N
Compound name
1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-phenoxypropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

342.19434 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.20162 183.3
[M+Na]+ 365.18356 186.1
[M-H]- 341.18706 187.3
[M+NH4]+ 360.22816 192.0
[M+K]+ 381.15750 181.7
[M+H-H2O]+ 325.19160 172.0
[M+HCOO]- 387.19254 197.9
[M+CH3COO]- 401.20819 209.0
[M+Na-2H]- 363.16901 184.6
[M]+ 342.19379 180.8
[M]- 342.19489 180.8
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

patents stripe