CID 3002171

5,6-dichloro-1-(2',3'-dideoxy-.beta.-d-glycero-pentofuranosyl)-2-mercaptobenzimidazole

Structural Information

Molecular Formula
C12H12Cl2N2O2S
SMILES
C1C[C@@H](O[C@@H]1CO)N2C3=CC(=C(C=C3NC2=S)Cl)Cl
InChI
InChI=1S/C12H12Cl2N2O2S/c13-7-3-9-10(4-8(7)14)16(12(19)15-9)11-2-1-6(5-17)18-11/h3-4,6,11,17H,1-2,5H2,(H,15,19)/t6-,11+/m0/s1
InChIKey
CZLSCSDVFCYJJF-UPONEAKYSA-N
Compound name
5,6-dichloro-3-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-1H-benzimidazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.99966 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.00694 168.7
[M+Na]+ 340.98888 181.6
[M-H]- 316.99238 172.9
[M+NH4]+ 336.03348 185.5
[M+K]+ 356.96282 175.0
[M+H-H2O]+ 300.99692 164.7
[M+HCOO]- 362.99786 173.2
[M+CH3COO]- 377.01351 180.3
[M+Na-2H]- 338.97433 166.3
[M]+ 317.99911 173.6
[M]- 318.00021 173.6
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.