CID 487082

Chembl4227820

Structural Information

Molecular Formula
C22H24Cl2N2O
SMILES
CC(C)(C)C1=CC=C(C=C1)COC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C22H24Cl2N2O/c1-22(2,3)17-6-4-16(5-7-17)14-27-21(13-26-11-10-25-15-26)19-9-8-18(23)12-20(19)24/h4-12,15,21H,13-14H2,1-3H3
InChIKey
JZTUKWPZYXUZMX-UHFFFAOYSA-N
Compound name
1-[2-[(4-tert-butylphenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

402.12656 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.13384 197.6
[M+Na]+ 425.11578 205.7
[M-H]- 401.11928 203.7
[M+NH4]+ 420.16038 208.9
[M+K]+ 441.08972 198.0
[M+H-H2O]+ 385.12382 187.7
[M+HCOO]- 447.12476 206.2
[M+CH3COO]- 461.14041 220.3
[M+Na-2H]- 423.10123 197.0
[M]+ 402.12601 203.2
[M]- 402.12711 203.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.