CID 91565

4-hydroxypropranolol

Structural Information

Molecular Formula
C16H21NO3
SMILES
CC(C)NCC(COC1=CC=C(C2=CC=CC=C21)O)O
InChI
InChI=1S/C16H21NO3/c1-11(2)17-9-12(18)10-20-16-8-7-15(19)13-5-3-4-6-14(13)16/h3-8,11-12,17-19H,9-10H2,1-2H3
InChIKey
CWEPACWBWIOYID-UHFFFAOYSA-N
Compound name
4-[2-hydroxy-3-(propan-2-ylamino)propoxy]naphthalen-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

92
References

22
Patents

275.15213 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.15941 164.5
[M+Na]+ 298.14135 175.3
[M+NH4]+ 293.18595 171.7
[M+K]+ 314.11529 169.6
[M-H]- 274.14485 166.3
[M+Na-2H]- 296.12680 168.9
[M]+ 275.15158 166.3
[M]- 275.15268 166.3
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