CID 9798857

Schembl7210198

Structural Information

Molecular Formula
C15H17Cl2N3O3
SMILES
C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C3=CC(=C(C=C3N=C2NC4CC4)Cl)Cl)O)O
InChI
InChI=1S/C15H17Cl2N3O3/c1-6-12(21)13(22)14(23-6)20-11-5-9(17)8(16)4-10(11)19-15(20)18-7-2-3-7/h4-7,12-14,21-22H,2-3H2,1H3,(H,18,19)/t6-,12-,13-,14-/m1/s1
InChIKey
BYURDLJTVVRJFN-HUJULLGZSA-N
Compound name
(2R,3R,4S,5R)-2-[5,6-dichloro-2-(cyclopropylamino)benzimidazol-1-yl]-5-methyloxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
Patents

357.0647 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.07198 176.0
[M+Na]+ 380.05392 188.5
[M-H]- 356.05742 182.9
[M+NH4]+ 375.09852 185.4
[M+K]+ 396.02786 180.9
[M+H-H2O]+ 340.06196 170.5
[M+HCOO]- 402.06290 185.1
[M+CH3COO]- 416.07855 186.4
[M+Na-2H]- 378.03937 174.6
[M]+ 357.06415 182.7
[M]- 357.06525 182.7
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.