CID 115772

64047-91-2

Structural Information

Molecular Formula
C21H27NO2
SMILES
CC(C)C1(CCN(C1)CCC2=CC=C(C=C2)O)C3=CC(=CC=C3)O
InChI
InChI=1S/C21H27NO2/c1-16(2)21(18-4-3-5-20(24)14-18)11-13-22(15-21)12-10-17-6-8-19(23)9-7-17/h3-9,14,16,23-24H,10-13,15H2,1-2H3
InChIKey
CMTTZURGUAZAAJ-UHFFFAOYSA-N
Compound name
3-[1-[2-(4-hydroxyphenyl)ethyl]-3-propan-2-ylpyrrolidin-3-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.2042 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.21148 181.4
[M+Na]+ 348.19342 193.6
[M+NH4]+ 343.23802 190.3
[M+K]+ 364.16736 186.2
[M-H]- 324.19692 185.9
[M+Na-2H]- 346.17887 189.7
[M]+ 325.20365 184.5
[M]- 325.20475 184.5
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.