CID 5271260

133040-33-2

Structural Information

Molecular Formula
C14H17N3O6
SMILES
CCC1=NOC(=C1)C2=CN(C(=O)NC2=O)[C@H]3C[C@@H]([C@H](O3)CO)O
InChI
InChI=1S/C14H17N3O6/c1-2-7-3-10(23-16-7)8-5-17(14(21)15-13(8)20)12-4-9(19)11(6-18)22-12/h3,5,9,11-12,18-19H,2,4,6H2,1H3,(H,15,20,21)/t9-,11+,12+/m0/s1
InChIKey
VQSOWKCELBIFTO-MVWJERBFSA-N
Compound name
5-(3-ethyl-1,2-oxazol-5-yl)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

323.11172 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.11900 171.0
[M+Na]+ 346.10094 180.4
[M-H]- 322.10444 176.0
[M+NH4]+ 341.14554 180.2
[M+K]+ 362.07488 178.0
[M+H-H2O]+ 306.10898 163.6
[M+HCOO]- 368.10992 186.4
[M+CH3COO]- 382.12557 199.5
[M+Na-2H]- 344.08639 169.6
[M]+ 323.11117 173.1
[M]- 323.11227 173.1
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.