CID 3025244

Pyrocatechol, 4-(2-(4-(o-tolyl)-1-piperazinyl)ethyl)-, dihydrobromide, hydrate

Structural Information

Molecular Formula
C19H24N2O2
SMILES
CC1=CC=CC=C1N2CCN(CC2)CCC3=CC(=C(C=C3)O)O
InChI
InChI=1S/C19H24N2O2/c1-15-4-2-3-5-17(15)21-12-10-20(11-13-21)9-8-16-6-7-18(22)19(23)14-16/h2-7,14,22-23H,8-13H2,1H3
InChIKey
URXHULTYRWLWMC-UHFFFAOYSA-N
Compound name
4-[2-[4-(2-methylphenyl)piperazin-1-yl]ethyl]benzene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.18378 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.19106 178.2
[M+Na]+ 335.17300 192.3
[M+NH4]+ 330.21760 185.5
[M+K]+ 351.14694 184.4
[M-H]- 311.17650 182.9
[M+Na-2H]- 333.15845 186.0
[M]+ 312.18323 181.5
[M]- 312.18433 181.5
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.