CID 488940

1-(beta-d-ribofuranosyl)-pyridin-2-one-3-n-propylcarboxamide

Structural Information

Molecular Formula
C14H20N2O6
SMILES
CCCNC(=O)C1=CC=CN(C1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
InChI
InChI=1S/C14H20N2O6/c1-2-5-15-12(20)8-4-3-6-16(13(8)21)14-11(19)10(18)9(7-17)22-14/h3-4,6,9-11,14,17-19H,2,5,7H2,1H3,(H,15,20)/t9-,10-,11-,14-/m1/s1
InChIKey
SGFPOEVYGIJGAD-ZHSDAYTOSA-N
Compound name
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxo-N-propylpyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

312.13214 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.13942 169.9
[M+Na]+ 335.12136 176.3
[M-H]- 311.12486 172.5
[M+NH4]+ 330.16596 181.6
[M+K]+ 351.09530 174.2
[M+H-H2O]+ 295.12940 162.9
[M+HCOO]- 357.13034 186.9
[M+CH3COO]- 371.14599 201.4
[M+Na-2H]- 333.10681 169.2
[M]+ 312.13159 170.3
[M]- 312.13269 170.3
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

No patent data available for this compound.