CID 159899

N-desisopropylpropranolol

Structural Information

Molecular Formula
C13H15NO2
SMILES
C1=CC=C2C(=C1)C=CC=C2OCC(CN)O
InChI
InChI=1S/C13H15NO2/c14-8-11(15)9-16-13-7-3-5-10-4-1-2-6-12(10)13/h1-7,11,15H,8-9,14H2
InChIKey
ZFMCITCRZXLMDJ-UHFFFAOYSA-N
Compound name
1-amino-3-naphthalen-1-yloxypropan-2-ol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

19
References

92
Patents

217.11028 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.11756 147.4
[M+Na]+ 240.09950 153.8
[M-H]- 216.10300 149.9
[M+NH4]+ 235.14410 165.7
[M+K]+ 256.07344 150.4
[M+H-H2O]+ 200.10754 140.9
[M+HCOO]- 262.10848 168.9
[M+CH3COO]- 276.12413 188.6
[M+Na-2H]- 238.08495 153.7
[M]+ 217.10973 146.6
[M]- 217.11083 146.6
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

No patent data available for this compound.