CID 469441

2-azido-4,6-dichloro-1-.beta.-d-ribofuranosylbenzimidazole

Structural Information

Molecular Formula
C12H11Cl2N5O4
SMILES
C1=C(C=C(C2=C1N(C(=N2)N=[N+]=[N-])[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)Cl)Cl
InChI
InChI=1S/C12H11Cl2N5O4/c13-4-1-5(14)8-6(2-4)19(12(16-8)17-18-15)11-10(22)9(21)7(3-20)23-11/h1-2,7,9-11,20-22H,3H2/t7-,9-,10-,11-/m1/s1
InChIKey
GGSADFSQWNAPDH-QCNRFFRDSA-N
Compound name
(2R,3R,4S,5R)-2-(2-azido-4,6-dichlorobenzimidazol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

359.0188 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.02608 182.0
[M+Na]+ 382.00802 191.6
[M-H]- 358.01152 186.8
[M+NH4]+ 377.05262 194.9
[M+K]+ 397.98196 182.1
[M+H-H2O]+ 342.01606 180.1
[M+HCOO]- 404.01700 195.8
[M+CH3COO]- 418.03265 206.8
[M+Na-2H]- 379.99347 185.8
[M]+ 359.01825 184.2
[M]- 359.01935 184.2
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.