CID 513639

(2r,3r,4s,5r)-2-[6,7-dichloro-2-(cyclopropylamino)benzo[f]benzimidazol-3-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol

Structural Information

Molecular Formula
C19H19Cl2N3O4
SMILES
C1CC1NC2=NC3=C(N2[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)C=C5C=C(C(=CC5=C3)Cl)Cl
InChI
InChI=1S/C19H19Cl2N3O4/c20-11-3-8-5-13-14(6-9(8)4-12(11)21)24(19(23-13)22-10-1-2-10)18-17(27)16(26)15(7-25)28-18/h3-6,10,15-18,25-27H,1-2,7H2,(H,22,23)/t15-,16-,17-,18-/m1/s1
InChIKey
QWUQUBHJNRUOGM-BRSBDYLESA-N
Compound name
(2R,3R,4S,5R)-2-[6,7-dichloro-2-(cyclopropylamino)benzo[f]benzimidazol-3-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

423.07526 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.08254 189.1
[M+Na]+ 446.06448 201.3
[M-H]- 422.06798 195.6
[M+NH4]+ 441.10908 196.2
[M+K]+ 462.03842 193.0
[M+H-H2O]+ 406.07252 184.0
[M+HCOO]- 468.07346 195.3
[M+CH3COO]- 482.08911 198.1
[M+Na-2H]- 444.04993 187.7
[M]+ 423.07471 196.6
[M]- 423.07581 196.6
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.