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]+ 318.20638 177.1
[M+Na]+ 340.18832 181.8
[M-H]- 316.19182 182.2
[M+NH4]+ 335.23292 193.6
[M+K]+ 356.16226 180.0
[M+H-H2O]+ 300.19636 169.9
[M+HCOO]- 362.19730 195.7
[M+CH3COO]- 376.21295 211.8
[M+Na-2H]- 338.17377 179.9
[M]+ 317.19855 180.9
[M]- 317.19965 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.