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 190.7
[M+Na]+ 395.19412 193.8
[M-H]- 371.19762 195.0
[M+NH4]+ 390.23872 198.4
[M+K]+ 411.16806 190.0
[M+H-H2O]+ 355.20216 179.2
[M+HCOO]- 417.20310 205.1
[M+CH3COO]- 431.21875 215.3
[M+Na-2H]- 393.17957 190.9
[M]+ 372.20435 190.4
[M]- 372.20545 190.4
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.