CID 487081

1-[2-[(4-tert-butylphenyl)methoxy]-2-(p-tolyl)ethyl]imidazole

Structural Information

Molecular Formula
C23H28N2O
SMILES
CC1=CC=C(C=C1)C(CN2C=CN=C2)OCC3=CC=C(C=C3)C(C)(C)C
InChI
InChI=1S/C23H28N2O/c1-18-5-9-20(10-6-18)22(15-25-14-13-24-17-25)26-16-19-7-11-21(12-8-19)23(2,3)4/h5-14,17,22H,15-16H2,1-4H3
InChIKey
ZMHXNKZYCNTTSX-UHFFFAOYSA-N
Compound name
1-[2-[(4-tert-butylphenyl)methoxy]-2-(4-methylphenyl)ethyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

348.22015 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.22743 188.6
[M+Na]+ 371.20937 194.4
[M-H]- 347.21287 195.4
[M+NH4]+ 366.25397 200.5
[M+K]+ 387.18331 189.1
[M+H-H2O]+ 331.21741 178.4
[M+HCOO]- 393.21835 206.9
[M+CH3COO]- 407.23400 214.7
[M+Na-2H]- 369.19482 189.7
[M]+ 348.21960 190.8
[M]- 348.22070 190.8
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.