CID 513640

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

Structural Information

Molecular Formula
C19H21Cl2N3O4
SMILES
CC(C)NC1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)C=C4C=C(C(=CC4=C2)Cl)Cl
InChI
InChI=1S/C19H21Cl2N3O4/c1-8(2)22-19-23-13-5-9-3-11(20)12(21)4-10(9)6-14(13)24(19)18-17(27)16(26)15(7-25)28-18/h3-6,8,15-18,25-27H,7H2,1-2H3,(H,22,23)/t15-,16-,17-,18-/m1/s1
InChIKey
FDNUGRXVUFPIMX-BRSBDYLESA-N
Compound name
(2R,3R,4S,5R)-2-[6,7-dichloro-2-(propan-2-ylamino)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

425.0909 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.09818 198.5
[M+Na]+ 448.08012 209.1
[M-H]- 424.08362 202.3
[M+NH4]+ 443.12472 210.3
[M+K]+ 464.05406 203.1
[M+H-H2O]+ 408.08816 193.2
[M+HCOO]- 470.08910 203.6
[M+CH3COO]- 484.10475 207.3
[M+Na-2H]- 446.06557 195.5
[M]+ 425.09035 204.5
[M]- 425.09145 204.5
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.