CID 456112

3'-nac-3'-n,5'-o-methano-dt

Structural Information

Molecular Formula
C13H17N3O6
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@H]3[C@H](O2)COCN3OC(=O)C
InChI
InChI=1S/C13H17N3O6/c1-7-4-15(13(19)14-12(7)18)11-3-9-10(21-11)5-20-6-16(9)22-8(2)17/h4,9-11H,3,5-6H2,1-2H3,(H,14,18,19)/t9-,10+,11+/m0/s1
InChIKey
FDPDQTYPALJZIX-HBNTYKKESA-N
Compound name
[(4aS,6R,7aS)-6-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,4,4a,6,7,7a-hexahydrofuro[3,2-d][1,3]oxazin-1-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.11172 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.118996 168.5
[M+Na]+ 334.100938 176.9
[M-H]- 310.104444 172.4
[M+NH4]+ 329.145543 178.5
[M+K]+ 350.074878 176.1
[M+H-H2O]+ 294.108980 160.3
[M+HCOO]- 356.109921 181.1
[M+CH3COO]- 370.125571 201.7
[M+Na-2H]- 332.086386 169.4
[M]+ 311.11117142 169.8
[M]- 311.11226858 169.8
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.