CID 49768266

(2r,3r,4s,5r)-2-[4,6-dichloro-2-(propylamino)benzimidazol-1-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol

Structural Information

Molecular Formula
C15H19Cl2N3O4
SMILES
CCCNC1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)C=C(C=C2Cl)Cl
InChI
InChI=1S/C15H19Cl2N3O4/c1-2-3-18-15-19-11-8(17)4-7(16)5-9(11)20(15)14-13(23)12(22)10(6-21)24-14/h4-5,10,12-14,21-23H,2-3,6H2,1H3,(H,18,19)/t10-,12-,13-,14-/m1/s1
InChIKey
LDMAAUIAZZRMBA-FMKGYKFTSA-N
Compound name
(2R,3R,4S,5R)-2-[4,6-dichloro-2-(propylamino)benzimidazol-1-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.07526 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.08254 185.0
[M+Na]+ 398.06448 195.6
[M-H]- 374.06798 187.6
[M+NH4]+ 393.10908 197.8
[M+K]+ 414.03842 189.6
[M+H-H2O]+ 358.07252 179.5
[M+HCOO]- 420.07346 192.7
[M+CH3COO]- 434.08911 211.4
[M+Na-2H]- 396.04993 183.0
[M]+ 375.07471 190.4
[M]- 375.07581 190.4
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.