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]+ 353.045426 178.7
[M+Na]+ 375.027368 191.1
[M-H]- 351.030874 189.0
[M+NH4]+ 370.071973 194.6
[M+K]+ 391.001308 188.4
[M+H-H2O]+ 335.035410 172.9
[M+HCOO]- 397.036351 189.2
[M+CH3COO]- 411.052001 191.2
[M+Na-2H]- 373.012816 178.8
[M]+ 352.03760142 187.4
[M]- 352.03869858 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.