CID 17754095

(5-methyl-6-oxo-1,6-dihydro-pyridin-3-yl)-1,2-dideoxy-ribofuranose-5-monophosphate

Structural Information

Molecular Formula
C11H16NO7P
SMILES
CC1=CC(=CNC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O
InChI
InChI=1S/C11H16NO7P/c1-6-2-7(4-12-11(6)14)9-3-8(13)10(19-9)5-18-20(15,16)17/h2,4,8-10,13H,3,5H2,1H3,(H,12,14)(H2,15,16,17)/t8-,9+,10+/m0/s1
InChIKey
MUWYCJQCZPFLFI-IVZWLZJFSA-N
Compound name
[(2R,3S,5R)-3-hydroxy-5-(5-methyl-6-oxo-1H-pyridin-3-yl)oxolan-2-yl]methyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.06644 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.07372 165.2
[M+Na]+ 328.05566 171.7
[M-H]- 304.05916 165.3
[M+NH4]+ 323.10026 176.9
[M+K]+ 344.02960 170.3
[M+H-H2O]+ 288.06370 157.0
[M+HCOO]- 350.06464 185.1
[M+CH3COO]- 364.08029 192.9
[M+Na-2H]- 326.04111 164.8
[M]+ 305.06589 165.4
[M]- 305.06699 165.4
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

No patent data available for this compound.