CID 3054420

1-(2-(butoxymethoxy)-2-(2,4-dichlorophenyl)ethenyl)-1h-imidazole nitrate

Structural Information

Molecular Formula
C16H18Cl2N2O2
SMILES
CCCCOCO/C(=C\N1C=CN=C1)/C2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C16H18Cl2N2O2/c1-2-3-8-21-12-22-16(10-20-7-6-19-11-20)14-5-4-13(17)9-15(14)18/h4-7,9-11H,2-3,8,12H2,1H3/b16-10-
InChIKey
JWVIWOUFHFNLLU-YBEGLDIGSA-N
Compound name
1-[(Z)-2-(butoxymethoxy)-2-(2,4-dichlorophenyl)ethenyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.07452 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.08180 176.6
[M+Na]+ 363.06374 190.4
[M+NH4]+ 358.10834 183.7
[M+K]+ 379.03768 183.5
[M-H]- 339.06724 178.4
[M+Na-2H]- 361.04919 183.0
[M]+ 340.07397 179.6
[M]- 340.07507 179.6
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.