CID 440780

A-ribazole

Structural Information

Molecular Formula
C14H18N2O4
SMILES
CC1=CC2=C(C=C1C)N(C=N2)[C@@H]3C(C([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-RYSNWHEDSA-N
Compound name
(2S,5R)-2-(5,6-dimethylbenzimidazol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

16
References

107
Patents

278.12665 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.13393 163.0
[M+Na]+ 301.11587 174.5
[M+NH4]+ 296.16047 169.1
[M+K]+ 317.08981 174.4
[M-H]- 277.11937 164.7
[M+Na-2H]- 299.10132 164.9
[M]+ 278.12610 164.8
[M]- 278.12720 164.8
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

patents stripe