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

literature stripe

Patent stripe

patents stripe