CID 160433

Alpha-ribazole

Structural Information

Molecular Formula
C14H18N2O4
SMILES
CC1=CC2=C(C=C1C)N(C=N2)[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
InChI
InChI=1S/C14H18N2O4/c1-7-3-9-10(4-8(7)2)16(6-15-9)14-13(19)12(18)11(5-17)20-14/h3-4,6,11-14,17-19H,5H2,1-2H3/t11-,12-,13-,14+/m1/s1
InChIKey
HLRUKOJSWOKCPP-SYQHCUMBSA-N
Compound name
(2S,3R,4S,5R)-2-(5,6-dimethylbenzimidazol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

16
References

113
Patents

278.12665 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.133926 162.5
[M+Na]+ 301.115868 173.0
[M-H]- 277.119374 166.0
[M+NH4]+ 296.160473 178.2
[M+K]+ 317.089808 169.6
[M+H-H2O]+ 261.123910 156.8
[M+HCOO]- 323.124851 179.5
[M+CH3COO]- 337.140501 194.0
[M+Na-2H]- 299.101316 162.5
[M]+ 278.12610142 165.0
[M]- 278.12719858 165.0
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