CID 3062597

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

Structural Information

Molecular Formula
C17H16Cl2N2O3
SMILES
CC1C(OC(O1)(CN2C=CN=C2)C3=CC4=CC(=CC(=C4O3)Cl)Cl)C
InChI
InChI=1S/C17H16Cl2N2O3/c1-10-11(2)24-17(23-10,8-21-4-3-20-9-21)15-6-12-5-13(18)7-14(19)16(12)22-15/h3-7,9-11H,8H2,1-2H3
InChIKey
BYACYVVELYGKAA-UHFFFAOYSA-N
Compound name
1-[[2-(5,7-dichloro-1-benzofuran-2-yl)-4,5-dimethyl-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

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.06108 183.6
[M+Na]+ 389.04302 196.4
[M-H]- 365.04652 194.2
[M+NH4]+ 384.08762 199.2
[M+K]+ 405.01696 193.4
[M+H-H2O]+ 349.05106 178.0
[M+HCOO]- 411.05200 193.7
[M+CH3COO]- 425.06765 195.9
[M+Na-2H]- 387.02847 182.5
[M]+ 366.05325 193.0
[M]- 366.05435 193.0
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.