CID 3078113

1-((1,1-dimethylethyl)amino)-3-((6,7,8,9-tetrahydro-2-dibenzofuranyl)0xy)-2-propanol hcl

Structural Information

Molecular Formula
C19H27NO3
SMILES
CC(C)(C)NCC(COC1=CC2=C(C=C1)OC3=C2CCCC3)O
InChI
InChI=1S/C19H27NO3/c1-19(2,3)20-11-13(21)12-22-14-8-9-18-16(10-14)15-6-4-5-7-17(15)23-18/h8-10,13,20-21H,4-7,11-12H2,1-3H3
InChIKey
JIZYKGSEUSIWIH-UHFFFAOYSA-N
Compound name
1-(tert-butylamino)-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

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.20638 176.7
[M+Na]+ 340.18832 181.9
[M-H]- 316.19182 180.8
[M+NH4]+ 335.23292 192.9
[M+K]+ 356.16226 179.3
[M+H-H2O]+ 300.19636 170.6
[M+HCOO]- 362.19730 193.4
[M+CH3COO]- 376.21295 208.4
[M+Na-2H]- 338.17377 181.5
[M]+ 317.19855 178.9
[M]- 317.19965 178.9
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.