CID 457362

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

Structural Information

Molecular Formula
C14H15Cl2N3O3
SMILES
C1CC1NC2=NC3=CC(=C(C=C3N2[C@H]4[C@@H]([C@@H](CO4)O)O)Cl)Cl
InChI
InChI=1S/C14H15Cl2N3O3/c15-7-3-9-10(4-8(7)16)19(13-12(21)11(20)5-22-13)14(18-9)17-6-1-2-6/h3-4,6,11-13,20-21H,1-2,5H2,(H,17,18)/t11-,12-,13-/m1/s1
InChIKey
JWUSTNLBSHEJLK-JHJVBQTASA-N
Compound name
(2R,3R,4R)-2-[5,6-dichloro-2-(cyclopropylamino)benzimidazol-1-yl]oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

343.04904 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.05632 170.9
[M+Na]+ 366.03826 183.0
[M-H]- 342.04176 177.6
[M+NH4]+ 361.08286 180.5
[M+K]+ 382.01220 175.7
[M+H-H2O]+ 326.04630 165.2
[M+HCOO]- 388.04724 180.4
[M+CH3COO]- 402.06289 181.4
[M+Na-2H]- 364.02371 170.7
[M]+ 343.04849 176.9
[M]- 343.04959 176.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.