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
2
Annotation Hits

19
References

77
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 147.7
[M+Na]+ 240.09950 159.9
[M+NH4]+ 235.14410 156.4
[M+K]+ 256.07344 153.3
[M-H]- 216.10300 150.6
[M+Na-2H]- 238.08495 154.2
[M]+ 217.10973 150.2
[M]- 217.11083 150.2
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

patents stripe