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 177.0
[M+Na]+ 363.06374 185.4
[M-H]- 339.06724 179.9
[M+NH4]+ 358.10834 190.8
[M+K]+ 379.03768 178.9
[M+H-H2O]+ 323.07178 168.4
[M+HCOO]- 385.07272 188.5
[M+CH3COO]- 399.08837 206.7
[M+Na-2H]- 361.04919 177.4
[M]+ 340.07397 183.6
[M]- 340.07507 183.6
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.