CID 440780

N1-(alpha-d-ribosyl)-5,6-dimethyl-benzimidazole

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
4
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]+ 279.13393 162.5
[M+Na]+ 301.11587 173.0
[M-H]- 277.11937 166.0
[M+NH4]+ 296.16047 178.2
[M+K]+ 317.08981 169.6
[M+H-H2O]+ 261.12391 156.8
[M+HCOO]- 323.12485 179.5
[M+CH3COO]- 337.14050 194.0
[M+Na-2H]- 299.10132 162.5
[M]+ 278.12610 165.0
[M]- 278.12720 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

No literature data available for this compound.

Patent stripe

patents stripe