CID 3062595

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

Structural Information

Molecular Formula
C18H20N2O3
SMILES
CC1(COC(OC1)(CN2C=CN=C2)C3=CC4=CC=CC=C4O3)C
InChI
InChI=1S/C18H20N2O3/c1-17(2)11-21-18(22-12-17,10-20-8-7-19-13-20)16-9-14-5-3-4-6-15(14)23-16/h3-9,13H,10-12H2,1-2H3
InChIKey
FRNBEHBDJUZZED-UHFFFAOYSA-N
Compound name
1-[[2-(1-benzofuran-2-yl)-5,5-dimethyl-1,3-dioxan-2-yl]methyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

312.1474 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.15468 167.3
[M+Na]+ 335.13662 181.8
[M+NH4]+ 330.18122 178.2
[M+K]+ 351.11056 175.7
[M-H]- 311.14012 175.8
[M+Na-2H]- 333.12207 176.6
[M]+ 312.14685 172.3
[M]- 312.14795 172.3
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