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]+ 288.13426 165.3
[M+Na]+ 310.11620 173.2
[M-H]- 286.11970 172.0
[M+NH4]+ 305.16080 177.4
[M+K]+ 326.09014 169.4
[M+H-H2O]+ 270.12424 156.2
[M+HCOO]- 332.12518 184.7
[M+CH3COO]- 346.14083 176.4
[M+Na-2H]- 308.10165 167.4
[M]+ 287.12643 163.4
[M]- 287.12753 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.