CID 5274195

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

Structural Information

Molecular Formula
C15H17N3O4
SMILES
C1[C@@H]([C@H](O[C@@H]1N2C=C(C(=NC2=O)N)C3=CC=CC=C3)CO)O
InChI
InChI=1S/C15H17N3O4/c16-14-10(9-4-2-1-3-5-9)7-18(15(21)17-14)13-6-11(20)12(8-19)22-13/h1-5,7,11-13,19-20H,6,8H2,(H2,16,17,21)/t11-,12+,13-/m0/s1
InChIKey
WOLJJZATCZNTBD-XQQFMLRXSA-N
Compound name
4-amino-1-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-phenylpyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

303.12192 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.12920 168.9
[M+Na]+ 326.11114 177.0
[M-H]- 302.11464 174.6
[M+NH4]+ 321.15574 179.8
[M+K]+ 342.08508 173.1
[M+H-H2O]+ 286.11918 160.1
[M+HCOO]- 348.12012 186.9
[M+CH3COO]- 362.13577 200.7
[M+Na-2H]- 324.09659 169.9
[M]+ 303.12137 167.1
[M]- 303.12247 167.1
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.