CID 478542

2-cyclopropylamino-5,6-dichloro-1-(2-deoxy-.beta.-l-ribofuranosyl)benzimidazole

Structural Information

Molecular Formula
C15H17Cl2N3O3
SMILES
C1CC1NC2=NC3=CC(=C(C=C3N2[C@@H]4C[C@H]([C@@H](O4)CO)O)Cl)Cl
InChI
InChI=1S/C15H17Cl2N3O3/c16-8-3-10-11(4-9(8)17)20(15(19-10)18-7-1-2-7)14-5-12(22)13(6-21)23-14/h3-4,7,12-14,21-22H,1-2,5-6H2,(H,18,19)/t12-,13+,14+/m1/s1
InChIKey
NIYBFCAWGIJCSD-RDBSUJKOSA-N
Compound name
(2S,3R,5S)-5-[5,6-dichloro-2-(cyclopropylamino)benzimidazol-1-yl]-2-(hydroxymethyl)oxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

357.0647 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.07198 175.0
[M+Na]+ 380.05392 186.7
[M-H]- 356.05742 181.5
[M+NH4]+ 375.09852 184.0
[M+K]+ 396.02786 179.2
[M+H-H2O]+ 340.06196 169.1
[M+HCOO]- 402.06290 184.1
[M+CH3COO]- 416.07855 185.1
[M+Na-2H]- 378.03937 174.3
[M]+ 357.06415 181.3
[M]- 357.06525 181.3
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

No patent data available for this compound.