CID 5273987

(2r,3s,4r)-4-[5,6-dichloro-2-(isopropylamino)benzimidazol-1-yl]-2-(hydroxymethyl)tetrahydrofuran-3-ol

Structural Information

Molecular Formula
C15H19Cl2N3O3
SMILES
CC(C)NC1=NC2=CC(=C(C=C2N1[C@@H]3CO[C@@H]([C@H]3O)CO)Cl)Cl
InChI
InChI=1S/C15H19Cl2N3O3/c1-7(2)18-15-19-10-3-8(16)9(17)4-11(10)20(15)12-6-23-13(5-21)14(12)22/h3-4,7,12-14,21-22H,5-6H2,1-2H3,(H,18,19)/t12-,13-,14+/m1/s1
InChIKey
YOMMBXRPQNQRNW-MCIONIFRSA-N
Compound name
(2R,3S,4R)-4-[5,6-dichloro-2-(propan-2-ylamino)benzimidazol-1-yl]-2-(hydroxymethyl)oxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.08035 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.08763 182.8
[M+Na]+ 382.06957 192.9
[M-H]- 358.07307 186.4
[M+NH4]+ 377.11417 196.6
[M+K]+ 398.04351 187.4
[M+H-H2O]+ 342.07761 176.9
[M+HCOO]- 404.07855 190.8
[M+CH3COO]- 418.09420 192.8
[M+Na-2H]- 380.05502 180.5
[M]+ 359.07980 187.6
[M]- 359.08090 187.6
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.