CID 11507134

1-(beta-d-ribofuranosyl)-1,4-dihydronicotinamide

Structural Information

Molecular Formula
C11H16N2O5
SMILES
C1C=CN(C=C1C(=O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
InChI
InChI=1S/C11H16N2O5/c12-10(17)6-2-1-3-13(4-6)11-9(16)8(15)7(5-14)18-11/h1,3-4,7-9,11,14-16H,2,5H2,(H2,12,17)/t7-,8-,9-,11-/m1/s1
InChIKey
MAKBMGXNXXXBFE-TURQNECASA-N
Compound name
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4H-pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

432
Patents

256.10593 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.11321 156.4
[M+Na]+ 279.09515 162.1
[M-H]- 255.09865 158.2
[M+NH4]+ 274.13975 169.8
[M+K]+ 295.06909 160.3
[M+H-H2O]+ 239.10319 149.8
[M+HCOO]- 301.10413 172.0
[M+CH3COO]- 315.11978 189.8
[M+Na-2H]- 277.08060 155.8
[M]+ 256.10538 152.3
[M]- 256.10648 152.3
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