CID 3078115

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

Structural Information

Molecular Formula
C18H25NO3
SMILES
CC(C)NCC(COC1=CC2=C(C=C1)OC3=C2CCCC3)O
InChI
InChI=1S/C18H25NO3/c1-12(2)19-10-13(20)11-21-14-7-8-18-16(9-14)15-5-3-4-6-17(15)22-18/h7-9,12-13,19-20H,3-6,10-11H2,1-2H3
InChIKey
LBCWXXVMJCDVQU-UHFFFAOYSA-N
Compound name
1-(propan-2-ylamino)-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

303.18344 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.19072 172.1
[M+Na]+ 326.17266 176.9
[M-H]- 302.17616 176.0
[M+NH4]+ 321.21726 188.5
[M+K]+ 342.14660 174.4
[M+H-H2O]+ 286.18070 165.5
[M+HCOO]- 348.18164 189.6
[M+CH3COO]- 362.19729 206.5
[M+Na-2H]- 324.15811 175.1
[M]+ 303.18289 173.8
[M]- 303.18399 173.8
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.