CID 49768267

(2r,3r,4s,5s)-2-(2-bromobenzimidazol-1-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol

Structural Information

Molecular Formula
C12H13BrN2O4
SMILES
C1=CC=C2C(=C1)N=C(N2[C@H]3[C@@H]([C@@H]([C@@H](O3)CO)O)O)Br
InChI
InChI=1S/C12H13BrN2O4/c13-12-14-6-3-1-2-4-7(6)15(12)11-10(18)9(17)8(5-16)19-11/h1-4,8-11,16-18H,5H2/t8-,9+,10+,11+/m0/s1
InChIKey
FFGXPBWMXYMZHW-LNFKQOIKSA-N
Compound name
(2R,3R,4S,5S)-2-(2-bromobenzimidazol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.00586 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.01314 166.1
[M+Na]+ 350.99508 178.9
[M-H]- 326.99858 172.0
[M+NH4]+ 346.03968 183.2
[M+K]+ 366.96902 168.3
[M+H-H2O]+ 311.00312 166.3
[M+HCOO]- 373.00406 181.6
[M+CH3COO]- 387.01971 179.4
[M+Na-2H]- 348.98053 168.6
[M]+ 328.00531 185.8
[M]- 328.00641 185.8
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.