CID 3062591

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

Structural Information

Molecular Formula
C17H16Cl2N2O3
SMILES
CC[C@@H]1CO[C@@](O1)(CN2C=CN=C2)C3=CC4=CC(=CC(=C4O3)Cl)Cl
InChI
InChI=1S/C17H16Cl2N2O3/c1-2-13-8-22-17(24-13,9-21-4-3-20-10-21)15-6-11-5-12(18)7-14(19)16(11)23-15/h3-7,10,13H,2,8-9H2,1H3/t13-,17-/m1/s1
InChIKey
OWMRUOBQCRCMEL-CXAGYDPISA-N
Compound name
1-[[(2R,4R)-2-(5,7-dichloro-1-benzofuran-2-yl)-4-ethyl-1,3-dioxolan-2-yl]methyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.0538 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.06108 183.3
[M+Na]+ 389.04302 195.2
[M-H]- 365.04652 193.5
[M+NH4]+ 384.08762 198.6
[M+K]+ 405.01696 192.3
[M+H-H2O]+ 349.05106 177.3
[M+HCOO]- 411.05200 193.5
[M+CH3COO]- 425.06765 195.3
[M+Na-2H]- 387.02847 182.8
[M]+ 366.05325 192.3
[M]- 366.05435 192.3
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.