CID 3087253

113682-11-4

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]+ 367.238016 191.2
[M+Na]+ 389.219958 193.7
[M-H]- 365.223464 197.2
[M+NH4]+ 384.264563 200.3
[M+K]+ 405.193898 186.8
[M+H-H2O]+ 349.228000 180.2
[M+HCOO]- 411.228941 203.4
[M+CH3COO]- 425.244591 198.0
[M+Na-2H]- 387.205406 187.6
[M]+ 366.23019142 183.4
[M]- 366.23128858 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