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 180.5
[M+Na]+ 348.19342 185.7
[M-H]- 324.19692 186.1
[M+NH4]+ 343.23802 195.5
[M+K]+ 364.16736 180.2
[M+H-H2O]+ 308.20146 172.3
[M+HCOO]- 370.20240 197.0
[M+CH3COO]- 384.21805 204.9
[M+Na-2H]- 346.17887 179.6
[M]+ 325.20365 177.9
[M]- 325.20475 177.9
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.