CID 118753143

Oxymetazoline metabolite m3

Structural Information

Molecular Formula
C16H22N2O2
SMILES
CC1=CC(=C(C(=C1CC2=NC=CN2)C)O)C(C)(C)CO
InChI
InChI=1S/C16H22N2O2/c1-10-7-13(16(3,4)9-19)15(20)11(2)12(10)8-14-17-5-6-18-14/h5-7,19-20H,8-9H2,1-4H3,(H,17,18)
InChIKey
GTYONBALMIDUDK-UHFFFAOYSA-N
Compound name
6-(1-hydroxy-2-methylpropan-2-yl)-3-(1H-imidazol-2-ylmethyl)-2,4-dimethylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

274.16812 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.17540 167.4
[M+Na]+ 297.15734 178.9
[M+NH4]+ 292.20194 173.2
[M+K]+ 313.13128 175.7
[M-H]- 273.16084 167.8
[M+Na-2H]- 295.14279 172.0
[M]+ 274.16757 169.0
[M]- 274.16867 169.0
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

No patent data available for this compound.