CID 3062619

1h-imidazole, 1-((2-(2-benzofuranyl)-4-(methoxymethyl)-1,3-dioxolan-2-yl)methyl)-, trans-

Structural Information

Molecular Formula
C17H18N2O4
SMILES
COC[C@H]1CO[C@@](O1)(CN2C=CN=C2)C3=CC4=CC=CC=C4O3
InChI
InChI=1S/C17H18N2O4/c1-20-9-14-10-21-17(23-14,11-19-7-6-18-12-19)16-8-13-4-2-3-5-15(13)22-16/h2-8,12,14H,9-11H2,1H3/t14-,17+/m0/s1
InChIKey
LUPHMOQPQABUQS-WMLDXEAASA-N
Compound name
1-[[(2R,4S)-2-(1-benzofuran-2-yl)-4-(methoxymethyl)-1,3-dioxolan-2-yl]methyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.12665 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.13393 166.2
[M+Na]+ 337.11587 179.3
[M+NH4]+ 332.16047 175.0
[M+K]+ 353.08981 177.9
[M-H]- 313.11937 173.6
[M+Na-2H]- 335.10132 173.1
[M]+ 314.12610 170.4
[M]- 314.12720 170.4
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.