CID 5274207

2(1h)-pyrimidinone, 4-amino-1-(2-deoxy-.alpha.-d-erythro-pentofuranosyl)-5-(4-pyridinyl)-

Structural Information

Molecular Formula
C14H16N4O4
SMILES
C1[C@@H]([C@H](O[C@@H]1N2C=C(C(=NC2=O)N)C3=CC=NC=C3)CO)O
InChI
InChI=1S/C14H16N4O4/c15-13-9(8-1-3-16-4-2-8)6-18(14(21)17-13)12-5-10(20)11(7-19)22-12/h1-4,6,10-12,19-20H,5,7H2,(H2,15,17,21)/t10-,11+,12-/m0/s1
InChIKey
UKYVTZDBDOUROB-TUAOUCFPSA-N
Compound name
4-amino-1-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-pyridin-4-ylpyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.11716 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.12444 169.3
[M+Na]+ 327.10638 177.8
[M-H]- 303.10988 173.8
[M+NH4]+ 322.15098 178.7
[M+K]+ 343.08032 173.8
[M+H-H2O]+ 287.11442 159.8
[M+HCOO]- 349.11536 186.3
[M+CH3COO]- 363.13101 179.4
[M+Na-2H]- 325.09183 170.6
[M]+ 304.11661 167.6
[M]- 304.11771 167.6
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.