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]+ 312.11900 168.5
[M+Na]+ 334.10094 176.9
[M-H]- 310.10444 172.4
[M+NH4]+ 329.14554 178.5
[M+K]+ 350.07488 176.1
[M+H-H2O]+ 294.10898 160.3
[M+HCOO]- 356.10992 181.1
[M+CH3COO]- 370.12557 201.7
[M+Na-2H]- 332.08639 169.4
[M]+ 311.11117 169.8
[M]- 311.11227 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.