CID 206283

47420-10-0

Structural Information

Molecular Formula
C21H27NO3
SMILES
CCCC1(CCN(C1)CCC2=CC(=C(C=C2)O)O)C3=CC(=CC=C3)O
InChI
InChI=1S/C21H27NO3/c1-2-9-21(17-4-3-5-18(23)14-17)10-12-22(15-21)11-8-16-6-7-19(24)20(25)13-16/h3-7,13-14,23-25H,2,8-12,15H2,1H3
InChIKey
PXJXZGPSWYCCHA-UHFFFAOYSA-N
Compound name
4-[2-[3-(3-hydroxyphenyl)-3-propylpyrrolidin-1-yl]ethyl]benzene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.1991 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.206376 183.4
[M+Na]+ 364.188318 189.2
[M-H]- 340.191824 187.9
[M+NH4]+ 359.232923 197.3
[M+K]+ 380.162258 183.1
[M+H-H2O]+ 324.196360 175.4
[M+HCOO]- 386.197301 199.5
[M+CH3COO]- 400.212951 205.0
[M+Na-2H]- 362.173766 182.7
[M]+ 341.19855142 181.5
[M]- 341.19964858 181.5
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.