CID 12445684

De(2,3-dihydroxy) nadolol hydrochloride

Structural Information

Molecular Formula
C17H27NO2
SMILES
CC(C)(C)NCC(COC1=CC=CC2=C1CCCC2)O
InChI
InChI=1S/C17H27NO2/c1-17(2,3)18-11-14(19)12-20-16-10-6-8-13-7-4-5-9-15(13)16/h6,8,10,14,18-19H,4-5,7,9,11-12H2,1-3H3
InChIKey
ZTYWAQSTDRZAAS-UHFFFAOYSA-N
Compound name
1-(tert-butylamino)-3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

277.2042 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.21148 167.9
[M+Na]+ 300.19342 177.3
[M+NH4]+ 295.23802 175.7
[M+K]+ 316.16736 171.2
[M-H]- 276.19692 169.8
[M+Na-2H]- 298.17887 171.9
[M]+ 277.20365 169.6
[M]- 277.20475 169.6
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

patents stripe