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 168.3
[M+Na]+ 300.19342 171.3
[M-H]- 276.19692 170.0
[M+NH4]+ 295.23802 184.4
[M+K]+ 316.16736 168.3
[M+H-H2O]+ 260.20146 161.8
[M+HCOO]- 322.20240 184.5
[M+CH3COO]- 336.21805 201.7
[M+Na-2H]- 298.17887 172.3
[M]+ 277.20365 166.4
[M]- 277.20475 166.4
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