CID 4636

Oxymetazoline

Structural Information

Molecular Formula
C16H24N2O
SMILES
CC1=CC(=C(C(=C1CC2=NCCN2)C)O)C(C)(C)C
InChI
InChI=1S/C16H24N2O/c1-10-8-13(16(3,4)5)15(19)11(2)12(10)9-14-17-6-7-18-14/h8,19H,6-7,9H2,1-5H3,(H,17,18)
InChIKey
WYWIFABBXFUGLM-UHFFFAOYSA-N
Compound name
6-tert-butyl-3-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2,4-dimethylphenol
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

881
References

23379
Patents

260.18887 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.19615 165.1
[M+Na]+ 283.17809 176.8
[M+NH4]+ 278.22269 171.9
[M+K]+ 299.15203 172.9
[M-H]- 259.18159 166.4
[M+Na-2H]- 281.16354 169.9
[M]+ 260.18832 167.1
[M]- 260.18942 167.1
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