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]+ 354.24275 189.6
[M+Na]+ 376.22469 194.6
[M-H]- 352.22819 195.0
[M+NH4]+ 371.26929 203.6
[M+K]+ 392.19863 188.8
[M+H-H2O]+ 336.23273 181.6
[M+HCOO]- 398.23367 204.7
[M+CH3COO]- 412.24932 209.7
[M+Na-2H]- 374.21014 189.8
[M]+ 353.23492 187.7
[M]- 353.23602 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.