CID 119611

27544-75-8

Structural Information

Molecular Formula
C21H27NO2
SMILES
CCCC1(CCN(C1)CCC2=CC=C(C=C2)O)C3=CC(=CC=C3)O
InChI
InChI=1S/C21H27NO2/c1-2-11-21(18-4-3-5-20(24)15-18)12-14-22(16-21)13-10-17-6-8-19(23)9-7-17/h3-9,15,23-24H,2,10-14,16H2,1H3
InChIKey
LRMYMYHAGWQOEO-UHFFFAOYSA-N
Compound name
3-[1-[2-(4-hydroxyphenyl)ethyl]-3-propylpyrrolidin-3-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.2042 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.21148 180.4
[M+Na]+ 348.19342 185.9
[M-H]- 324.19692 185.8
[M+NH4]+ 343.23802 195.4
[M+K]+ 364.16736 179.8
[M+H-H2O]+ 308.20146 171.9
[M+HCOO]- 370.20240 197.9
[M+CH3COO]- 384.21805 204.0
[M+Na-2H]- 346.17887 180.6
[M]+ 325.20365 178.4
[M]- 325.20475 178.4
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

No patent data available for this compound.