CID 496602

Nsc694922

Structural Information

Molecular Formula
C11H13N3O6
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]3[C@H](O2)COC(=O)N3O
InChI
InChI=1S/C11H13N3O6/c1-5-3-13(10(16)12-9(5)15)8-2-6-7(20-8)4-19-11(17)14(6)18/h3,6-8,18H,2,4H2,1H3,(H,12,15,16)/t6-,7-,8-/m1/s1
InChIKey
ORWALIFHWGZSDZ-BWZBUEFSSA-N
Compound name
1-[(4aS,6R,7aR)-1-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]oxazin-6-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.08044 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.08772 160.9
[M+Na]+ 306.06966 170.9
[M-H]- 282.07316 164.0
[M+NH4]+ 301.11426 171.6
[M+K]+ 322.04360 169.1
[M+H-H2O]+ 266.07770 153.3
[M+HCOO]- 328.07864 173.6
[M+CH3COO]- 342.09429 194.7
[M+Na-2H]- 304.05511 162.7
[M]+ 283.07989 160.9
[M]- 283.08099 160.9
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.