CID 120967

Brn 0627900

Structural Information

Molecular Formula
C20H26N2O3
SMILES
COC1=C(C=C(C=C1)CCN2CCN(CC2)C3=CC=CC=C3O)OC
InChI
InChI=1S/C20H26N2O3/c1-24-19-8-7-16(15-20(19)25-2)9-10-21-11-13-22(14-12-21)17-5-3-4-6-18(17)23/h3-8,15,23H,9-14H2,1-2H3
InChIKey
COUBFHDRVMCGBX-UHFFFAOYSA-N
Compound name
2-[4-[2-(3,4-dimethoxyphenyl)ethyl]piperazin-1-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.19434 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.20162 184.4
[M+Na]+ 365.18356 189.5
[M-H]- 341.18706 189.2
[M+NH4]+ 360.22816 194.0
[M+K]+ 381.15750 184.7
[M+H-H2O]+ 325.19160 173.4
[M+HCOO]- 387.19254 200.0
[M+CH3COO]- 401.20819 210.6
[M+Na-2H]- 363.16901 185.4
[M]+ 342.19379 183.4
[M]- 342.19489 183.4
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.