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]+ 218.117556 147.4
[M+Na]+ 240.099498 153.8
[M-H]- 216.103004 149.9
[M+NH4]+ 235.144103 165.7
[M+K]+ 256.073438 150.4
[M+H-H2O]+ 200.107540 140.9
[M+HCOO]- 262.108481 168.9
[M+CH3COO]- 276.124131 188.6
[M+Na-2H]- 238.084946 153.7
[M]+ 217.10973142 146.6
[M]- 217.11082858 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

literature stripe

Patent stripe

patents stripe