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 175.6
[M-H]- 313.11937 177.2
[M+NH4]+ 332.16047 182.0
[M+K]+ 353.08981 176.1
[M+H-H2O]+ 297.12391 160.2
[M+HCOO]- 359.12485 187.0
[M+CH3COO]- 373.14050 179.3
[M+Na-2H]- 335.10132 169.4
[M]+ 314.12610 173.2
[M]- 314.12720 173.2
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.