CID 3062599

1h-imidazole, 1-(2-(5-methyl-2-(benzofuranyl)-1,3-dioxolan-2-yl)methyl)-

Structural Information

Molecular Formula
C16H16N2O3
SMILES
CC1=CC2=C(C=C1)OC(=C2)C3(OCCO3)CN4C=CN=C4
InChI
InChI=1S/C16H16N2O3/c1-12-2-3-14-13(8-12)9-15(21-14)16(19-6-7-20-16)10-18-5-4-17-11-18/h2-5,8-9,11H,6-7,10H2,1H3
InChIKey
MSNYPRXKBHEMMB-UHFFFAOYSA-N
Compound name
1-[[2-(5-methyl-1-benzofuran-2-yl)-1,3-dioxolan-2-yl]methyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.1161 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.12338 158.5
[M+Na]+ 307.10532 172.3
[M+NH4]+ 302.14992 168.1
[M+K]+ 323.07926 170.6
[M-H]- 283.10882 166.5
[M+Na-2H]- 305.09077 166.1
[M]+ 284.11555 163.0
[M]- 284.11665 163.0
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.