CID 3062596

98519-16-5

Structural Information

Molecular Formula
C16H14Cl2N2O3
SMILES
C1COC(OC1)(CN2C=CN=C2)C3=CC4=CC(=CC(=C4O3)Cl)Cl
InChI
InChI=1S/C16H14Cl2N2O3/c17-12-6-11-7-14(23-15(11)13(18)8-12)16(21-4-1-5-22-16)9-20-3-2-19-10-20/h2-3,6-8,10H,1,4-5,9H2
InChIKey
CXISOSYBSVEESX-UHFFFAOYSA-N
Compound name
1-[[2-(5,7-dichloro-1-benzofuran-2-yl)-1,3-dioxan-2-yl]methyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.03815 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.04543 177.6
[M+Na]+ 375.02737 188.5
[M-H]- 351.03087 187.0
[M+NH4]+ 370.07197 191.4
[M+K]+ 391.00131 185.8
[M+H-H2O]+ 335.03541 170.0
[M+HCOO]- 397.03635 186.0
[M+CH3COO]- 411.05200 189.1
[M+Na-2H]- 373.01282 180.2
[M]+ 352.03760 183.8
[M]- 352.03870 183.8
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.