CID 16728587

2(1h)-pyrimidinone, 4-amino-1-(2,3-dideoxy-3-phenyl-b-d-threo-pentofuranosyl)-

Structural Information

Molecular Formula
C15H17N3O3
SMILES
C1[C@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO)C3=CC=CC=C3
InChI
InChI=1S/C15H17N3O3/c16-13-6-7-18(15(20)17-13)14-8-11(12(9-19)21-14)10-4-2-1-3-5-10/h1-7,11-12,14,19H,8-9H2,(H2,16,17,20)/t11-,12+,14+/m0/s1
InChIKey
VIVHVIXOEZUUTR-OUCADQQQSA-N
Compound name
4-amino-1-[(2R,4S,5S)-5-(hydroxymethyl)-4-phenyloxolan-2-yl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

287.12698 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.134256 165.3
[M+Na]+ 310.116198 173.2
[M-H]- 286.119704 172.0
[M+NH4]+ 305.160803 177.4
[M+K]+ 326.090138 169.4
[M+H-H2O]+ 270.124240 156.2
[M+HCOO]- 332.125181 184.7
[M+CH3COO]- 346.140831 176.4
[M+Na-2H]- 308.101646 167.4
[M]+ 287.12643142 163.4
[M]- 287.12752858 163.4
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.