CID 471161

Maribavir

Structural Information

Molecular Formula
C15H19Cl2N3O4
SMILES
CC(C)NC1=NC2=CC(=C(C=C2N1[C@@H]3[C@H]([C@H]([C@@H](O3)CO)O)O)Cl)Cl
InChI
InChI=1S/C15H19Cl2N3O4/c1-6(2)18-15-19-9-3-7(16)8(17)4-10(9)20(15)14-13(23)12(22)11(5-21)24-14/h3-4,6,11-14,21-23H,5H2,1-2H3,(H,18,19)/t11-,12-,13-,14-/m0/s1
InChIKey
KJFBVJALEQWJBS-XUXIUFHCSA-N
Compound name
(2S,3S,4R,5S)-2-[5,6-dichloro-2-(propan-2-ylamino)benzimidazol-1-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

157
References

5756
Patents

375.07526 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.08254 182.2
[M+Na]+ 398.06448 193.5
[M+NH4]+ 393.10908 187.8
[M+K]+ 414.03842 192.7
[M-H]- 374.06798 183.9
[M+Na-2H]- 396.04993 183.2
[M]+ 375.07471 184.5
[M]- 375.07581 184.5
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

patents stripe