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 178.7
[M+Na]+ 375.02737 191.1
[M-H]- 351.03087 189.0
[M+NH4]+ 370.07197 194.6
[M+K]+ 391.00131 188.4
[M+H-H2O]+ 335.03541 172.9
[M+HCOO]- 397.03635 189.2
[M+CH3COO]- 411.05200 191.2
[M+Na-2H]- 373.01282 178.8
[M]+ 352.03760 187.4
[M]- 352.03870 187.4
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.