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]+ 373.212176 190.7
[M+Na]+ 395.194118 193.8
[M-H]- 371.197624 195.0
[M+NH4]+ 390.238723 198.4
[M+K]+ 411.168058 190.0
[M+H-H2O]+ 355.202160 179.2
[M+HCOO]- 417.203101 205.1
[M+CH3COO]- 431.218751 215.3
[M+Na-2H]- 393.179566 190.9
[M]+ 372.20435142 190.4
[M]- 372.20544858 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.