CID 5709

Xylometazoline

Structural Information

Molecular Formula
C16H24N2
SMILES
CC1=CC(=CC(=C1CC2=NCCN2)C)C(C)(C)C
InChI
InChI=1S/C16H24N2/c1-11-8-13(16(3,4)5)9-12(2)14(11)10-15-17-6-7-18-15/h8-9H,6-7,10H2,1-5H3,(H,17,18)
InChIKey
HUCJFAOMUPXHDK-UHFFFAOYSA-N
Compound name
2-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-4,5-dihydro-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

347
References

15291
Patents

244.19395 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.20123 161.6
[M+Na]+ 267.18317 169.3
[M-H]- 243.18667 164.5
[M+NH4]+ 262.22777 178.3
[M+K]+ 283.15711 164.6
[M+H-H2O]+ 227.19121 154.2
[M+HCOO]- 289.19215 179.0
[M+CH3COO]- 303.20780 194.2
[M+Na-2H]- 265.16862 163.2
[M]+ 244.19340 160.6
[M]- 244.19450 160.6
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