CID 3009084

1-[2-[(2,4-dichlorophenyl)methoxy]-2-(3,4-dimethoxyphenyl)ethyl]imidazole

Structural Information

Molecular Formula
C20H20Cl2N2O3
SMILES
COC1=C(C=C(C=C1)C(CN2C=CN=C2)OCC3=C(C=C(C=C3)Cl)Cl)OC
InChI
InChI=1S/C20H20Cl2N2O3/c1-25-18-6-4-14(9-19(18)26-2)20(11-24-8-7-23-13-24)27-12-15-3-5-16(21)10-17(15)22/h3-10,13,20H,11-12H2,1-2H3
InChIKey
ADPITWSDYOVPPE-UHFFFAOYSA-N
Compound name
1-[2-[(2,4-dichlorophenyl)methoxy]-2-(3,4-dimethoxyphenyl)ethyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

406.08508 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.09236 192.3
[M+Na]+ 429.07430 201.4
[M-H]- 405.07780 198.9
[M+NH4]+ 424.11890 203.4
[M+K]+ 445.04824 195.1
[M+H-H2O]+ 389.08234 182.4
[M+HCOO]- 451.08328 203.7
[M+CH3COO]- 465.09893 219.9
[M+Na-2H]- 427.05975 191.5
[M]+ 406.08453 201.0
[M]- 406.08563 201.0
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.