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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.18050 163.9
[M+Na]+ 281.16244 172.9
[M-H]- 257.16594 166.3
[M+NH4]+ 276.20704 179.6
[M+K]+ 297.13638 167.8
[M+H-H2O]+ 241.17048 157.0
[M+HCOO]- 303.17142 181.4
[M+CH3COO]- 317.18707 194.6
[M+Na-2H]- 279.14789 165.4
[M]+ 258.17267 164.3
[M]- 258.17377 164.3
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.