CID 16728582

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

Structural Information

Molecular Formula
C12H15N3O3
SMILES
C=CCC1=C[C@@H](O[C@@H]1CO)N2C=CC(=NC2=O)N
InChI
InChI=1S/C12H15N3O3/c1-2-3-8-6-11(18-9(8)7-16)15-5-4-10(13)14-12(15)17/h2,4-6,9,11,16H,1,3,7H2,(H2,13,14,17)/t9-,11-/m1/s1
InChIKey
APJYDXFKDUUSGQ-MWLCHTKSSA-N
Compound name
4-amino-1-[(2R,5S)-5-(hydroxymethyl)-4-prop-2-enyl-2,5-dihydrofuran-2-yl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

249.11134 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.11862 155.9
[M+Na]+ 272.10056 165.0
[M-H]- 248.10406 159.6
[M+NH4]+ 267.14516 170.0
[M+K]+ 288.07450 161.7
[M+H-H2O]+ 232.10860 147.9
[M+HCOO]- 294.10954 176.5
[M+CH3COO]- 308.12519 193.0
[M+Na-2H]- 270.08601 158.1
[M]+ 249.11079 156.1
[M]- 249.11189 156.1
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.