CID 495034

Nsc641545

Structural Information

Molecular Formula
C10H13N3O7
SMILES
C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)C(=O)N
InChI
InChI=1S/C10H13N3O7/c11-7(17)3-1-13(10(19)12-8(3)18)9-6(16)5(15)4(2-14)20-9/h1,4-6,9,14-16H,2H2,(H2,11,17)(H,12,18,19)/t4-,5-,6-,9-/m1/s1
InChIKey
IBDDFHSAYJSBMH-MWKIOEHESA-N
Compound name
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidine-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

287.07535 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.08263 159.6
[M+Na]+ 310.06457 168.0
[M-H]- 286.06807 160.1
[M+NH4]+ 305.10917 169.9
[M+K]+ 326.03851 165.5
[M+H-H2O]+ 270.07261 152.7
[M+HCOO]- 332.07355 174.6
[M+CH3COO]- 346.08920 194.1
[M+Na-2H]- 308.05002 158.6
[M]+ 287.07480 157.5
[M]- 287.07590 157.5
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.