CID 3050371

4-(2,4-dimethoxyphenyl)-alpha-phenoxymethyl-1-piperazineethanol

Structural Information

Molecular Formula
C21H28N2O4
SMILES
COC1=CC(=C(C=C1)N2CCN(CC2)CC(COC3=CC=CC=C3)O)OC
InChI
InChI=1S/C21H28N2O4/c1-25-19-8-9-20(21(14-19)26-2)23-12-10-22(11-13-23)15-17(24)16-27-18-6-4-3-5-7-18/h3-9,14,17,24H,10-13,15-16H2,1-2H3
InChIKey
IKQGBOUZXICARC-UHFFFAOYSA-N
Compound name
1-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]-3-phenoxypropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.2049 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.21218 191.9
[M+Na]+ 395.19412 204.3
[M+NH4]+ 390.23872 197.8
[M+K]+ 411.16806 197.5
[M-H]- 371.19762 195.8
[M+Na-2H]- 393.17957 198.8
[M]+ 372.20435 194.6
[M]- 372.20545 194.6
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.