CID 206025

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

Structural Information

Molecular Formula
C20H18Cl4N2O2
SMILES
C1=CC(=C(C=C1Cl)Cl)C(CN2C=CN=C2)OCCCOC3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C20H18Cl4N2O2/c21-14-2-4-16(17(23)10-14)20(12-26-7-6-25-13-26)28-9-1-8-27-19-5-3-15(22)11-18(19)24/h2-7,10-11,13,20H,1,8-9,12H2
InChIKey
CCTNJYCCRGANEW-UHFFFAOYSA-N
Compound name
1-[2-[3-(2,4-dichlorophenoxy)propoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

458.01224 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.01952 199.8
[M+Na]+ 481.00146 208.2
[M-H]- 457.00496 202.8
[M+NH4]+ 476.04606 208.7
[M+K]+ 496.97540 200.9
[M+H-H2O]+ 441.00950 190.1
[M+HCOO]- 503.01044 199.7
[M+CH3COO]- 517.02609 206.9
[M+Na-2H]- 478.98691 196.5
[M]+ 458.01169 206.2
[M]- 458.01279 206.2
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.