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]+ 318.206376 176.7
[M+Na]+ 340.188318 181.9
[M-H]- 316.191824 180.8
[M+NH4]+ 335.232923 192.9
[M+K]+ 356.162258 179.3
[M+H-H2O]+ 300.196360 170.6
[M+HCOO]- 362.197301 193.4
[M+CH3COO]- 376.212951 208.4
[M+Na-2H]- 338.173766 181.5
[M]+ 317.19855142 178.9
[M]- 317.19964858 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.