CID 3013094

4-amino-1-[(2r,5r)-5-(hydroxymethyl)-3-methyl-5-phenyl-2h-furan-2-yl]pyrimidin-2-one

Structural Information

Molecular Formula
C16H17N3O3
SMILES
CC1=C[C@](O[C@H]1N2C=CC(=NC2=O)N)(CO)C3=CC=CC=C3
InChI
InChI=1S/C16H17N3O3/c1-11-9-16(10-20,12-5-3-2-4-6-12)22-14(11)19-8-7-13(17)18-15(19)21/h2-9,14,20H,10H2,1H3,(H2,17,18,21)/t14-,16+/m1/s1
InChIKey
FWSSTPYALQQPCQ-ZBFHGGJFSA-N
Compound name
4-amino-1-[(2R,5R)-5-(hydroxymethyl)-3-methyl-5-phenyl-2H-furan-2-yl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

299.12698 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.13426 167.8
[M+Na]+ 322.11620 177.3
[M-H]- 298.11970 175.1
[M+NH4]+ 317.16080 181.6
[M+K]+ 338.09014 173.4
[M+H-H2O]+ 282.12424 159.0
[M+HCOO]- 344.12518 188.4
[M+CH3COO]- 358.14083 179.5
[M+Na-2H]- 320.10165 171.6
[M]+ 299.12643 168.1
[M]- 299.12753 168.1
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.