CID 172419507

Fbz glucoside

Structural Information

Molecular Formula
C21H25N3O7S
SMILES
COC(=O)NC1NC2=C(N1C3C(C(C(C(O3)CO)O)O)O)C=C(C=C2)SC4=CC=CC=C4
InChI
InChI=1S/C21H25N3O7S/c1-30-21(29)23-20-22-13-8-7-12(32-11-5-3-2-4-6-11)9-14(13)24(20)19-18(28)17(27)16(26)15(10-25)31-19/h2-9,15-20,22,25-28H,10H2,1H3,(H,23,29)
InChIKey
NFEJFNUHUACEIA-UHFFFAOYSA-N
Compound name
methyl N-[5-phenylsulfanyl-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

463.14133 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 464.14861 206.8
[M+Na]+ 486.13055 214.5
[M+NH4]+ 481.17515 209.9
[M+K]+ 502.10449 212.3
[M-H]- 462.13405 209.0
[M+Na-2H]- 484.11600 206.8
[M]+ 463.14078 208.3
[M]- 463.14188 208.3
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.