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

8
Patents

342.19434 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.201616 183.3
[M+Na]+ 365.183558 186.1
[M-H]- 341.187064 187.3
[M+NH4]+ 360.228163 192.0
[M+K]+ 381.157498 181.7
[M+H-H2O]+ 325.191600 172.0
[M+HCOO]- 387.192541 197.9
[M+CH3COO]- 401.208191 209.0
[M+Na-2H]- 363.169006 184.6
[M]+ 342.19379142 180.8
[M]- 342.19488858 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