CID 33745

68797-30-8

Structural Information

Molecular Formula
C18H15Cl3N2O
SMILES
C1=CC(=CC=C1COC(CC2C=NC=N2)C3=C(C=C(C=C3)Cl)Cl)Cl
InChI
InChI=1S/C18H15Cl3N2O/c19-13-3-1-12(2-4-13)10-24-18(8-15-9-22-11-23-15)16-6-5-14(20)7-17(16)21/h1-7,9,11,15,18H,8,10H2
InChIKey
LDIUYZDMWMDLDX-UHFFFAOYSA-N
Compound name
4-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]-4H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

380.025 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.032276 184.0
[M+Na]+ 403.014218 193.2
[M-H]- 379.017724 188.8
[M+NH4]+ 398.058823 196.0
[M+K]+ 418.988158 185.4
[M+H-H2O]+ 363.022260 174.4
[M+HCOO]- 425.023201 190.0
[M+CH3COO]- 439.038851 193.3
[M+Na-2H]- 400.999666 183.6
[M]+ 380.02445142 189.0
[M]- 380.02554858 189.0
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.