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 191.2
[M+Na]+ 389.21996 193.7
[M-H]- 365.22346 197.2
[M+NH4]+ 384.26456 200.3
[M+K]+ 405.19390 186.8
[M+H-H2O]+ 349.22800 180.2
[M+HCOO]- 411.22894 203.4
[M+CH3COO]- 425.24459 198.0
[M+Na-2H]- 387.20541 187.6
[M]+ 366.23019 183.4
[M]- 366.23129 183.4
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