CID 3062590

1h-imidazole, 1-((2-(2-benzofuranyl)-1,3-dioxolan-2-yl)methyl)-

Structural Information

Molecular Formula
C15H14N2O3
SMILES
C1COC(O1)(CN2C=CN=C2)C3=CC4=CC=CC=C4O3
InChI
InChI=1S/C15H14N2O3/c1-2-4-13-12(3-1)9-14(20-13)15(18-7-8-19-15)10-17-6-5-16-11-17/h1-6,9,11H,7-8,10H2
InChIKey
ULLHBRIRWVRXQT-UHFFFAOYSA-N
Compound name
1-[[2-(1-benzofuran-2-yl)-1,3-dioxolan-2-yl]methyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

270.10043 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.10771 154.2
[M+Na]+ 293.08965 163.8
[M-H]- 269.09315 165.0
[M+NH4]+ 288.13425 171.5
[M+K]+ 309.06359 164.2
[M+H-H2O]+ 253.09769 148.2
[M+HCOO]- 315.09863 175.5
[M+CH3COO]- 329.11428 168.0
[M+Na-2H]- 291.07510 158.8
[M]+ 270.09988 158.8
[M]- 270.10098 158.8
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

patents stripe