CID 3009085

1-[2-(1,3-benzodioxol-5-yl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazole

Structural Information

Molecular Formula
C19H16Cl2N2O3
SMILES
C1OC2=C(O1)C=C(C=C2)C(CN3C=CN=C3)OCC4=C(C=C(C=C4)Cl)Cl
InChI
InChI=1S/C19H16Cl2N2O3/c20-15-3-1-14(16(21)8-15)10-24-19(9-23-6-5-22-11-23)13-2-4-17-18(7-13)26-12-25-17/h1-8,11,19H,9-10,12H2
InChIKey
STRZUMWSSRHMBI-UHFFFAOYSA-N
Compound name
1-[2-(1,3-benzodioxol-5-yl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.0538 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.06108 190.2
[M+Na]+ 413.04302 199.3
[M-H]- 389.04652 198.7
[M+NH4]+ 408.08762 201.6
[M+K]+ 429.01696 195.1
[M+H-H2O]+ 373.05106 181.6
[M+HCOO]- 435.05200 198.9
[M+CH3COO]- 449.06765 200.3
[M+Na-2H]- 411.02847 189.8
[M]+ 390.05325 197.5
[M]- 390.05435 197.5
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.