CID 172419511

Fbz sulfone glucoside

Structural Information

Molecular Formula
C21H25N3O9S
SMILES
COC(=O)NC1NC2=C(N1C3C(C(C(C(O3)CO)O)O)O)C=C(C=C2)S(=O)(=O)C4=CC=CC=C4
InChI
InChI=1S/C21H25N3O9S/c1-32-21(29)23-20-22-13-8-7-12(34(30,31)11-5-3-2-4-6-11)9-14(13)24(20)19-18(28)17(27)16(26)15(10-25)33-19/h2-9,15-20,22,25-28H,10H2,1H3,(H,23,29)
InChIKey
PQJCWVMAXDVOQU-UHFFFAOYSA-N
Compound name
methyl N-[5-(benzenesulfonyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1,2-dihydrobenzimidazol-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

495.13116 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 496.13844 209.5
[M+Na]+ 518.12038 215.7
[M+NH4]+ 513.16498 210.6
[M+K]+ 534.09432 216.0
[M-H]- 494.12388 209.8
[M+Na-2H]- 516.10583 209.0
[M]+ 495.13061 210.2
[M]- 495.13171 210.2
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

No patent data available for this compound.