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 199.2
[M+Na]+ 461.05608 206.9
[M-H]- 437.05958 203.5
[M+NH4]+ 456.10068 208.8
[M+K]+ 477.03002 199.1
[M+H-H2O]+ 421.06412 188.9
[M+HCOO]- 483.06506 204.3
[M+CH3COO]- 497.08071 207.0
[M+Na-2H]- 459.04153 197.3
[M]+ 438.06631 206.4
[M]- 438.06741 206.4
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.