CID 487079

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

Structural Information

Molecular Formula
C22H26N2O
SMILES
CC(C)(C)C1=CC=C(C=C1)COC(CN2C=CN=C2)C3=CC=CC=C3
InChI
InChI=1S/C22H26N2O/c1-22(2,3)20-11-9-18(10-12-20)16-25-21(15-24-14-13-23-17-24)19-7-5-4-6-8-19/h4-14,17,21H,15-16H2,1-3H3
InChIKey
XVGUUYXMEHCEDY-UHFFFAOYSA-N
Compound name
1-[2-[(4-tert-butylphenyl)methoxy]-2-phenylethyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

334.2045 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.21178 184.1
[M+Na]+ 357.19372 189.4
[M-H]- 333.19722 190.6
[M+NH4]+ 352.23832 196.2
[M+K]+ 373.16766 184.3
[M+H-H2O]+ 317.20176 173.8
[M+HCOO]- 379.20270 202.7
[M+CH3COO]- 393.21835 210.6
[M+Na-2H]- 355.17917 186.4
[M]+ 334.20395 185.5
[M]- 334.20505 185.5
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.