CID 6443854

Isoxaprolol

Structural Information

Molecular Formula
C19H26N2O3
SMILES
CC1=NOC(=C1)/C=C/C2=CC=CC=C2OCC(CNC(C)(C)C)O
InChI
InChI=1S/C19H26N2O3/c1-14-11-17(24-21-14)10-9-15-7-5-6-8-18(15)23-13-16(22)12-20-19(2,3)4/h5-11,16,20,22H,12-13H2,1-4H3/b10-9+
InChIKey
MOIVIHVEHZGRGG-MDZDMXLPSA-N
Compound name
1-(tert-butylamino)-3-[2-[(E)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

212
Patents

330.19434 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.20162 182.7
[M+Na]+ 353.18356 187.9
[M-H]- 329.18706 187.2
[M+NH4]+ 348.22816 194.9
[M+K]+ 369.15750 185.1
[M+H-H2O]+ 313.19160 174.7
[M+HCOO]- 375.19254 201.7
[M+CH3COO]- 389.20819 209.6
[M+Na-2H]- 351.16901 184.7
[M]+ 330.19379 185.9
[M]- 330.19489 185.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.