CID 3054320

1-(2-(3-(4-chlorophenoxy)propoxy)-2-(2,4-dichlorophenyl)ethyl)-1h-imidazole nitrate

Structural Information

Molecular Formula
C20H19Cl3N2O2
SMILES
C1=CC(=CC=C1OCCCOC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl)Cl
InChI
InChI=1S/C20H19Cl3N2O2/c21-15-2-5-17(6-3-15)26-10-1-11-27-20(13-25-9-8-24-14-25)18-7-4-16(22)12-19(18)23/h2-9,12,14,20H,1,10-11,13H2
InChIKey
KHNOGVLYRLJXPL-UHFFFAOYSA-N
Compound name
1-[2-[3-(4-chlorophenoxy)propoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

424.0512 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.05848 194.8
[M+Na]+ 447.04042 203.0
[M-H]- 423.04392 199.4
[M+NH4]+ 442.08502 205.0
[M+K]+ 463.01436 195.5
[M+H-H2O]+ 407.04846 184.7
[M+HCOO]- 469.04940 200.3
[M+CH3COO]- 483.06505 203.1
[M+Na-2H]- 445.02587 193.5
[M]+ 424.05065 201.8
[M]- 424.05175 201.8
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

patents stripe