CID 3009143

1-[2-but-3-enoxy-2-(2,4-dichlorophenyl)ethyl]imidazole

Structural Information

Molecular Formula
C15H16Cl2N2O
SMILES
C=CCCOC(CN1C=CN=C1)C2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C15H16Cl2N2O/c1-2-3-8-20-15(10-19-7-6-18-11-19)13-5-4-12(16)9-14(13)17/h2,4-7,9,11,15H,1,3,8,10H2
InChIKey
OYDREEMFEMNTNA-UHFFFAOYSA-N
Compound name
1-[2-but-3-enoxy-2-(2,4-dichlorophenyl)ethyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.06396 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.07124 169.8
[M+Na]+ 333.05318 178.7
[M-H]- 309.05668 172.7
[M+NH4]+ 328.09778 184.8
[M+K]+ 349.02712 171.8
[M+H-H2O]+ 293.06122 161.5
[M+HCOO]- 355.06216 181.3
[M+CH3COO]- 369.07781 202.5
[M+Na-2H]- 331.03863 170.6
[M]+ 310.06341 174.7
[M]- 310.06451 174.7
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.