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]+ 397.07164 189.5
[M+Na]+ 419.05358 200.7
[M-H]- 395.05708 199.6
[M+NH4]+ 414.09818 203.6
[M+K]+ 435.02752 198.3
[M+H-H2O]+ 379.06162 183.4
[M+HCOO]- 441.06256 199.5
[M+CH3COO]- 455.07821 201.0
[M+Na-2H]- 417.03903 188.9
[M]+ 396.06381 200.2
[M]- 396.06491 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.