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]+ 278.211476 168.3
[M+Na]+ 300.193418 171.3
[M-H]- 276.196924 170.0
[M+NH4]+ 295.238023 184.4
[M+K]+ 316.167358 168.3
[M+H-H2O]+ 260.201460 161.8
[M+HCOO]- 322.202401 184.5
[M+CH3COO]- 336.218051 201.7
[M+Na-2H]- 298.178866 172.3
[M]+ 277.20365142 166.4
[M]- 277.20474858 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