CID 479257

1-[(2r,5s)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-[(prop-2-ynylamino)methyl]pyrimidine-2,4-dione

Structural Information

Molecular Formula
C13H15N3O4
SMILES
C#CCNCC1=CN(C(=O)NC1=O)[C@H]2C=C[C@H](O2)CO
InChI
InChI=1S/C13H15N3O4/c1-2-5-14-6-9-7-16(13(19)15-12(9)18)11-4-3-10(8-17)20-11/h1,3-4,7,10-11,14,17H,5-6,8H2,(H,15,18,19)/t10-,11+/m0/s1
InChIKey
UKMZNKIFHWNDIB-WDEREUQCSA-N
Compound name
1-[(2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-[(prop-2-ynylamino)methyl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

277.10626 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.11354 160.3
[M+Na]+ 300.09548 170.1
[M-H]- 276.09898 160.2
[M+NH4]+ 295.14008 170.6
[M+K]+ 316.06942 165.4
[M+H-H2O]+ 260.10352 145.6
[M+HCOO]- 322.10446 173.9
[M+CH3COO]- 336.12011 201.7
[M+Na-2H]- 298.08093 161.5
[M]+ 277.10571 154.7
[M]- 277.10681 154.7
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.