CID 217416

38906-55-7

Structural Information

Molecular Formula
C23H31NO2
SMILES
CC(C)(C)CC1(CCN(C1)CCC2=CC=C(C=C2)O)C3=CC(=CC=C3)O
InChI
InChI=1S/C23H31NO2/c1-22(2,3)16-23(19-5-4-6-21(26)15-19)12-14-24(17-23)13-11-18-7-9-20(25)10-8-18/h4-10,15,25-26H,11-14,16-17H2,1-3H3
InChIKey
PPQQITPOCJIZHI-UHFFFAOYSA-N
Compound name
3-[3-(2,2-dimethylpropyl)-1-[2-(4-hydroxyphenyl)ethyl]pyrrolidin-3-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.23547 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.242746 189.6
[M+Na]+ 376.224688 194.6
[M-H]- 352.228194 195.0
[M+NH4]+ 371.269293 203.6
[M+K]+ 392.198628 188.8
[M+H-H2O]+ 336.232730 181.6
[M+HCOO]- 398.233671 204.7
[M+CH3COO]- 412.249321 209.7
[M+Na-2H]- 374.210136 189.8
[M]+ 353.23492142 187.7
[M]- 353.23601858 187.7
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.