CID 458027

Benzamide riboside

Structural Information

Molecular Formula
C12H15NO5
SMILES
C1=CC(=CC(=C1)C(=O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
InChI
InChI=1S/C12H15NO5/c13-12(17)7-3-1-2-6(4-7)11-10(16)9(15)8(5-14)18-11/h1-4,8-11,14-16H,5H2,(H2,13,17)/t8-,9-,10-,11+/m1/s1
InChIKey
WIYQAQIDVXSPMY-DBIOUOCHSA-N
Compound name
3-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

36
References

232
Patents

253.09502 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.10230 156.0
[M+Na]+ 276.08424 164.2
[M+NH4]+ 271.12884 161.3
[M+K]+ 292.05818 163.8
[M-H]- 252.08774 157.8
[M+Na-2H]- 274.06969 157.7
[M]+ 253.09447 157.1
[M]- 253.09557 157.1
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