CID 10446087

5-hydroxy propranolol

Structural Information

Molecular Formula
C16H21NO3
SMILES
CC(C)NCC(COC1=CC=CC2=C1C=CC=C2O)O
InChI
InChI=1S/C16H21NO3/c1-11(2)17-9-12(18)10-20-16-8-4-5-13-14(16)6-3-7-15(13)19/h3-8,11-12,17-19H,9-10H2,1-2H3
InChIKey
WMYPGILKDMWISO-UHFFFAOYSA-N
Compound name
5-[2-hydroxy-3-(propan-2-ylamino)propoxy]naphthalen-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

21
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 164.3
[M+Na]+ 298.14135 169.4
[M-H]- 274.14485 165.7
[M+NH4]+ 293.18595 179.9
[M+K]+ 314.11529 166.1
[M+H-H2O]+ 258.14939 157.6
[M+HCOO]- 320.15033 183.0
[M+CH3COO]- 334.16598 200.0
[M+Na-2H]- 296.12680 167.7
[M]+ 275.15158 164.9
[M]- 275.15268 164.9
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