CID 3078121

1-(diethylamino)-3-((6,7,8,9-tetrahydro-2-dibenzofuranyl)oxy)-2-propanol hydrochloride

Structural Information

Molecular Formula
C19H27NO3
SMILES
CCN(CC)CC(COC1=CC2=C(C=C1)OC3=C2CCCC3)O
InChI
InChI=1S/C19H27NO3/c1-3-20(4-2)12-14(21)13-22-15-9-10-19-17(11-15)16-7-5-6-8-18(16)23-19/h9-11,14,21H,3-8,12-13H2,1-2H3
InChIKey
IITDULUYNGNWSS-UHFFFAOYSA-N
Compound name
1-(diethylamino)-3-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.1991 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.206376 177.1
[M+Na]+ 340.188318 181.8
[M-H]- 316.191824 182.2
[M+NH4]+ 335.232923 193.6
[M+K]+ 356.162258 180.0
[M+H-H2O]+ 300.196360 169.9
[M+HCOO]- 362.197301 195.7
[M+CH3COO]- 376.212951 211.8
[M+Na-2H]- 338.173766 179.9
[M]+ 317.19855142 180.9
[M]- 317.19964858 180.9
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.