CID 162349

Dihydrobunolol

Structural Information

Molecular Formula
C17H27NO3
SMILES
CC(C)(C)NCC(COC1=CC=CC2=C1CCCC2O)O
InChI
InChI=1S/C17H27NO3/c1-17(2,3)18-10-12(19)11-21-16-9-5-6-13-14(16)7-4-8-15(13)20/h5-6,9,12,15,18-20H,4,7-8,10-11H2,1-3H3
InChIKey
LGXDICLRWHYEIS-UHFFFAOYSA-N
Compound name
5-[3-(tert-butylamino)-2-hydroxypropoxy]-1,2,3,4-tetrahydronaphthalen-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

9
References

0
Patents

293.1991 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.20638 170.6
[M+Na]+ 316.18832 179.3
[M+NH4]+ 311.23292 177.4
[M+K]+ 332.16226 174.3
[M-H]- 292.19182 171.5
[M+Na-2H]- 314.17377 173.4
[M]+ 293.19855 171.9
[M]- 293.19965 171.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.