CID 487080

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

Structural Information

Molecular Formula
C22H25ClN2O
SMILES
CC(C)(C)C1=CC=C(C=C1)COC(CN2C=CN=C2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C22H25ClN2O/c1-22(2,3)19-8-4-17(5-9-19)15-26-21(14-25-13-12-24-16-25)18-6-10-20(23)11-7-18/h4-13,16,21H,14-15H2,1-3H3
InChIKey
PDVUCMLUJRMKCI-UHFFFAOYSA-N
Compound name
1-[2-[(4-tert-butylphenyl)methoxy]-2-(4-chlorophenyl)ethyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

368.16553 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.17281 191.4
[M+Na]+ 391.15475 198.4
[M-H]- 367.15825 198.1
[M+NH4]+ 386.19935 203.4
[M+K]+ 407.12869 191.6
[M+H-H2O]+ 351.16279 181.3
[M+HCOO]- 413.16373 205.3
[M+CH3COO]- 427.17938 215.2
[M+Na-2H]- 389.14020 192.4
[M]+ 368.16498 195.5
[M]- 368.16608 195.5
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.