CID 3070957

1-(2-(3,4-dihydroxyphenyl)-1-(4-tolyl)ethyl)-4-methylpiperazine dihydrobromide hydrate

Structural Information

Molecular Formula
C20H26N2O2
SMILES
CC1=CC=C(C=C1)C(CC2=CC(=C(C=C2)O)O)N3CCN(CC3)C
InChI
InChI=1S/C20H26N2O2/c1-15-3-6-17(7-4-15)18(22-11-9-21(2)10-12-22)13-16-5-8-19(23)20(24)14-16/h3-8,14,18,23-24H,9-13H2,1-2H3
InChIKey
VKFHISXPCGHDLQ-UHFFFAOYSA-N
Compound name
4-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.19943 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.20671 182.1
[M+Na]+ 349.18865 195.7
[M+NH4]+ 344.23325 189.1
[M+K]+ 365.16259 188.4
[M-H]- 325.19215 186.7
[M+Na-2H]- 347.17410 189.3
[M]+ 326.19888 185.3
[M]- 326.19998 185.3
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.