CID 3070959

1,2-benzenediol, 4-(2-(4-(2-hydroxyethyl)-1-piperazinyl)-2-(4-methylphenyl)ethyl)-, dihydrobromide

Structural Information

Molecular Formula
C21H28N2O3
SMILES
CC1=CC=C(C=C1)C(CC2=CC(=C(C=C2)O)O)N3CCN(CC3)CCO
InChI
InChI=1S/C21H28N2O3/c1-16-2-5-18(6-3-16)19(14-17-4-7-20(25)21(26)15-17)23-10-8-22(9-11-23)12-13-24/h2-7,15,19,24-26H,8-14H2,1H3
InChIKey
SVNAEACDBILMLH-UHFFFAOYSA-N
Compound name
4-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(4-methylphenyl)ethyl]benzene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.21 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.21728 190.0
[M+Na]+ 379.19922 202.2
[M+NH4]+ 374.24382 195.8
[M+K]+ 395.17316 195.6
[M-H]- 355.20272 193.5
[M+Na-2H]- 377.18467 195.9
[M]+ 356.20945 192.5
[M]- 356.21055 192.5
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.