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

6
Annotation Hits: 344
References: 14635
Patents: 244.19395 Da
Monoisotopic Mass: 3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	245.20123	161.6
[M+Na]+	267.18317	174.0
[M+NH4]+	262.22777	169.4
[M+K]+	283.15711	169.0
[M-H]-	243.18667	163.8
[M+Na-2H]-	265.16862	167.7
[M]+	244.19340	164.0
[M]-	244.19450	164.0

Literature stripe

literature stripe

Patent stripe

patents stripe