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 188.7
[M+Na]+ 379.19922 192.1
[M-H]- 355.20272 190.8
[M+NH4]+ 374.24382 196.2
[M+K]+ 395.17316 186.1
[M+H-H2O]+ 339.20726 178.5
[M+HCOO]- 401.20820 200.0
[M+CH3COO]- 415.22385 209.9
[M+Na-2H]- 377.18467 187.3
[M]+ 356.20945 184.0
[M]- 356.21055 184.0
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

patents stripe