CID 467052

Nsc664941

Structural Information

Molecular Formula
C13H19N3O5
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]3[C@H](O2)COC(N3O)(C)C
InChI
InChI=1S/C13H19N3O5/c1-7-5-15(12(18)14-11(7)17)10-4-8-9(21-10)6-20-13(2,3)16(8)19/h5,8-10,19H,4,6H2,1-3H3,(H,14,17,18)/t8-,9-,10-/m1/s1
InChIKey
VZMZVSZAEBIVDE-OPRDCNLKSA-N
Compound name
1-[(4aS,6R,7aR)-1-hydroxy-2,2-dimethyl-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

297.13248 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.13976 167.0
[M+Na]+ 320.12170 177.1
[M-H]- 296.12520 170.1
[M+NH4]+ 315.16630 179.5
[M+K]+ 336.09564 175.3
[M+H-H2O]+ 280.12974 159.8
[M+HCOO]- 342.13068 178.7
[M+CH3COO]- 356.14633 198.4
[M+Na-2H]- 318.10715 169.0
[M]+ 297.13193 167.4
[M]- 297.13303 167.4
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.