CID 68863

Bornaprolol hydrochloride

Structural Information

Molecular Formula
C19H29NO2
SMILES
CC(C)NCC(COC1=CC=CC=C1C2CC3CCC2C3)O
InChI
InChI=1S/C19H29NO2/c1-13(2)20-11-16(21)12-22-19-6-4-3-5-17(19)18-10-14-7-8-15(18)9-14/h3-6,13-16,18,20-21H,7-12H2,1-2H3
InChIKey
NACJSVRGPPMZRS-UHFFFAOYSA-N
Compound name
1-[2-(2-bicyclo[2.2.1]heptanyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

15
References

125
Patents

303.21982 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.22710 177.2
[M+Na]+ 326.20904 179.7
[M-H]- 302.21254 180.9
[M+NH4]+ 321.25364 196.1
[M+K]+ 342.18298 176.1
[M+H-H2O]+ 286.21708 171.1
[M+HCOO]- 348.21802 194.5
[M+CH3COO]- 362.23367 207.2
[M+Na-2H]- 324.19449 174.9
[M]+ 303.21927 175.8
[M]- 303.22037 175.8
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