CID 3062617

1h-imidazole, 1-((2-(5,7-dichloro-2-benzofuranyl)-4-methyl-1,3-dioxolan-2-yl)methyl)-, trans-

Structural Information

Molecular Formula
C16H14Cl2N2O3
SMILES
C[C@H]1CO[C@@](O1)(CN2C=CN=C2)C3=CC4=CC(=CC(=C4O3)Cl)Cl
InChI
InChI=1S/C16H14Cl2N2O3/c1-10-7-21-16(23-10,8-20-3-2-19-9-20)14-5-11-4-12(17)6-13(18)15(11)22-14/h2-6,9-10H,7-8H2,1H3/t10-,16+/m0/s1
InChIKey
VWKBREMZKXCAND-MGPLVRAMSA-N
Compound name
1-[[(2R,4S)-2-(5,7-dichloro-1-benzofuran-2-yl)-4-methyl-1,3-dioxolan-2-yl]methyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.03815 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.04543 170.8
[M+Na]+ 375.02737 186.4
[M+NH4]+ 370.07197 180.5
[M+K]+ 391.00131 183.2
[M-H]- 351.03087 178.5
[M+Na-2H]- 373.01282 177.7
[M]+ 352.03760 176.1
[M]- 352.03870 176.1
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.