CID 16728580

4-amino-1-[(2r,5s)-5-(hydroxymethyl)-4-phenyl-2,5-dihydrofuran-2-yl]pyrimidin-2-one

Structural Information

Molecular Formula
C15H15N3O3
SMILES
C1=CC=C(C=C1)C2=C[C@@H](O[C@@H]2CO)N3C=CC(=NC3=O)N
InChI
InChI=1S/C15H15N3O3/c16-13-6-7-18(15(20)17-13)14-8-11(12(9-19)21-14)10-4-2-1-3-5-10/h1-8,12,14,19H,9H2,(H2,16,17,20)/t12-,14-/m1/s1
InChIKey
ZBAINOLRILIHAV-TZMCWYRMSA-N
Compound name
4-amino-1-[(2R,5S)-5-(hydroxymethyl)-4-phenyl-2,5-dihydrofuran-2-yl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

285.11133 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.11861 164.1
[M+Na]+ 308.10055 173.0
[M-H]- 284.10405 171.2
[M+NH4]+ 303.14515 176.4
[M+K]+ 324.07449 169.0
[M+H-H2O]+ 268.10859 155.0
[M+HCOO]- 330.10953 185.0
[M+CH3COO]- 344.12518 175.7
[M+Na-2H]- 306.08600 167.1
[M]+ 285.11078 163.7
[M]- 285.11188 163.7
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.