CID 71315346

Unii-j9dt0bt6dl

Structural Information

Molecular Formula

C₁₆H₂₂N₂O

SMILES

CC1=CC(=C(C(=C1CC2=NC=CN2)C)O)C(C)(C)C

InChI

InChI=1S/C16H22N2O/c1-10-8-13(16(3,4)5)15(19)11(2)12(10)9-14-17-6-7-18-14/h6-8,19H,9H2,1-5H3,(H,17,18)

InChIKey

KDWBYTYXTYYVEX-UHFFFAOYSA-N

Compound name

6-tert-butyl-3-(1H-imidazol-2-ylmethyl)-2,4-dimethylphenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 258.17322 Da
Monoisotopic Mass: 4.1
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]+	259.180496	163.9
[M+Na]+	281.162438	172.9
[M-H]-	257.165944	166.3
[M+NH4]+	276.207043	179.6
[M+K]+	297.136378	167.8
[M+H-H2O]+	241.170480	157.0
[M+HCOO]-	303.171421	181.4
[M+CH3COO]-	317.187071	194.6
[M+Na-2H]-	279.147886	165.4
[M]+	258.17267142	164.3
[M]-	258.17376858	164.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.