CID 3062592

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

Structural Information

Molecular Formula
C18H18Cl2N2O4
SMILES
CCOC[C@@H]1CO[C@@](O1)(CN2C=CN=C2)C3=CC4=CC(=CC(=C4O3)Cl)Cl
InChI
InChI=1S/C18H18Cl2N2O4/c1-2-23-8-14-9-24-18(26-14,10-22-4-3-21-11-22)16-6-12-5-13(19)7-15(20)17(12)25-16/h3-7,11,14H,2,8-10H2,1H3/t14-,18-/m1/s1
InChIKey
KHGOTKDBPDRJOL-RDTXWAMCSA-N
Compound name
1-[[(2R,4R)-2-(5,7-dichloro-1-benzofuran-2-yl)-4-(ethoxymethyl)-1,3-dioxolan-2-yl]methyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.06436 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.071636 189.5
[M+Na]+ 419.053578 200.7
[M-H]- 395.057084 199.6
[M+NH4]+ 414.098183 203.6
[M+K]+ 435.027518 198.3
[M+H-H2O]+ 379.061620 183.4
[M+HCOO]- 441.062561 199.5
[M+CH3COO]- 455.078211 201.0
[M+Na-2H]- 417.039026 188.9
[M]+ 396.06381142 200.2
[M]- 396.06490858 200.2
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.