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]+ 343.201616 184.4
[M+Na]+ 365.183558 189.5
[M-H]- 341.187064 189.2
[M+NH4]+ 360.228163 194.0
[M+K]+ 381.157498 184.7
[M+H-H2O]+ 325.191600 173.4
[M+HCOO]- 387.192541 200.0
[M+CH3COO]- 401.208191 210.6
[M+Na-2H]- 363.169006 185.4
[M]+ 342.19379142 183.4
[M]- 342.19488858 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.