CID 513123

(2r,3r,4r,5r)-4-benzyloxy-5-(benzyloxymethyl)-2-(5,6-dichlorobenzimidazol-1-yl)tetrahydrofuran-3-ol

Structural Information

Molecular Formula
C26H24Cl2N2O4
SMILES
C1=CC=C(C=C1)COC[C@@H]2[C@@H]([C@H]([C@@H](O2)N3C=NC4=CC(=C(C=C43)Cl)Cl)O)OCC5=CC=CC=C5
InChI
InChI=1S/C26H24Cl2N2O4/c27-19-11-21-22(12-20(19)28)30(16-29-21)26-24(31)25(33-14-18-9-5-2-6-10-18)23(34-26)15-32-13-17-7-3-1-4-8-17/h1-12,16,23-26,31H,13-15H2/t23-,24-,25+,26-/m1/s1
InChIKey
CJLOJQHWMGQMAZ-FXSWLTOZSA-N
Compound name
(2R,3R,4R,5R)-2-(5,6-dichlorobenzimidazol-1-yl)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

498.1113 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 499.11858 217.8
[M+Na]+ 521.10052 226.9
[M-H]- 497.10402 228.0
[M+NH4]+ 516.14512 225.7
[M+K]+ 537.07446 220.2
[M+H-H2O]+ 481.10856 207.5
[M+HCOO]- 543.10950 225.9
[M+CH3COO]- 557.12515 225.9
[M+Na-2H]- 519.08597 214.2
[M]+ 498.11075 225.9
[M]- 498.11185 225.9
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.