CID 3054942

Sgd 778

Structural Information

Molecular Formula
C21H21Cl3N2O2
SMILES
C1=CC(=CC=C1OCCCCOC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl)Cl
InChI
InChI=1S/C21H21Cl3N2O2/c22-16-3-6-18(7-4-16)27-11-1-2-12-28-21(14-26-10-9-25-15-26)19-8-5-17(23)13-20(19)24/h3-10,13,15,21H,1-2,11-12,14H2
InChIKey
CDAZNGHBQLKZTM-UHFFFAOYSA-N
Compound name
1-[2-[4-(4-chlorophenoxy)butoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

438.06686 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.07414 201.2
[M+Na]+ 461.05608 217.2
[M+NH4]+ 456.10068 208.7
[M+K]+ 477.03002 208.2
[M-H]- 437.05958 205.5
[M+Na-2H]- 459.04153 209.5
[M]+ 438.06631 205.7
[M]- 438.06741 205.7
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.