CID 206027

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

Structural Information

Molecular Formula
C19H16Cl4N2O2
SMILES
C1=CC(=C(C=C1Cl)Cl)C(CN2C=CN=C2)OCCOC3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C19H16Cl4N2O2/c20-13-1-3-15(16(22)9-13)19(11-25-6-5-24-12-25)27-8-7-26-18-4-2-14(21)10-17(18)23/h1-6,9-10,12,19H,7-8,11H2
InChIKey
XJAQOJNPQIRCTM-UHFFFAOYSA-N
Compound name
1-[2-[2-(2,4-dichlorophenoxy)ethoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

443.99658 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.00386 195.6
[M+Na]+ 466.98580 204.4
[M-H]- 442.98930 198.7
[M+NH4]+ 462.03040 205.0
[M+K]+ 482.95974 197.3
[M+H-H2O]+ 426.99384 186.1
[M+HCOO]- 488.99478 195.8
[M+CH3COO]- 503.01043 203.1
[M+Na-2H]- 464.97125 192.8
[M]+ 443.99603 201.7
[M]- 443.99713 201.7
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.