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 159.2
[M+Na]+ 307.10532 169.4
[M-H]- 283.10882 170.4
[M+NH4]+ 302.14992 176.4
[M+K]+ 323.07926 169.5
[M+H-H2O]+ 267.11336 153.5
[M+HCOO]- 329.11430 180.2
[M+CH3COO]- 343.12995 173.0
[M+Na-2H]- 305.09077 162.7
[M]+ 284.11555 164.6
[M]- 284.11665 164.6
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.