CID 3087253

1-(4-cyclopentylphenyl)-4-(2-(3,4-dihydroxyphenyl)ethyl)piperazine maleate

Structural Information

Molecular Formula
C23H30N2O2
SMILES
C1CCC(C1)C2=CC=C(C=C2)N3CCN(CC3)CCC4=CC(=C(C=C4)O)O
InChI
InChI=1S/C23H30N2O2/c26-22-10-5-18(17-23(22)27)11-12-24-13-15-25(16-14-24)21-8-6-20(7-9-21)19-3-1-2-4-19/h5-10,17,19,26-27H,1-4,11-16H2
InChIKey
XGMDRWVJFOKDKP-UHFFFAOYSA-N
Compound name
4-[2-[4-(4-cyclopentylphenyl)piperazin-1-yl]ethyl]benzene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.23074 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.23802 194.1
[M+Na]+ 389.21996 206.5
[M+NH4]+ 384.26456 201.5
[M+K]+ 405.19390 200.0
[M-H]- 365.22346 200.3
[M+Na-2H]- 387.20541 201.3
[M]+ 366.23019 197.5
[M]- 366.23129 197.5
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.