CID 495779

Nsc667859

Structural Information

Molecular Formula
C10H13N3O4
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]3[C@H](O2)CNO3
InChI
InChI=1S/C10H13N3O4/c1-5-4-13(10(15)12-9(5)14)8-2-6-7(16-8)3-11-17-6/h4,6-8,11H,2-3H2,1H3,(H,12,14,15)/t6-,7-,8-/m1/s1
InChIKey
NKZNIIZAURAYRZ-BWZBUEFSSA-N
Compound name
1-[(3aR,5R,6aR)-2,3,3a,5,6,6a-hexahydrofuro[2,3-d][1,2]oxazol-5-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.0906 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.09788 150.5
[M+Na]+ 262.07982 160.0
[M-H]- 238.08332 153.5
[M+NH4]+ 257.12442 164.7
[M+K]+ 278.05376 158.1
[M+H-H2O]+ 222.08786 143.9
[M+HCOO]- 284.08880 165.4
[M+CH3COO]- 298.10445 162.2
[M+Na-2H]- 260.06527 152.1
[M]+ 239.09005 149.3
[M]- 239.09115 149.3
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.