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]+ 342.20638 183.4
[M+Na]+ 364.18832 189.2
[M-H]- 340.19182 187.9
[M+NH4]+ 359.23292 197.3
[M+K]+ 380.16226 183.1
[M+H-H2O]+ 324.19636 175.4
[M+HCOO]- 386.19730 199.5
[M+CH3COO]- 400.21295 205.0
[M+Na-2H]- 362.17377 182.7
[M]+ 341.19855 181.5
[M]- 341.19965 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.