CID 454204

Nsc651814

Structural Information

Molecular Formula
C11H15N3O5
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]3[C@H](O2)COCN3O
InChI
InChI=1S/C11H15N3O5/c1-6-3-13(11(16)12-10(6)15)9-2-7-8(19-9)4-18-5-14(7)17/h3,7-9,17H,2,4-5H2,1H3,(H,12,15,16)/t7-,8-,9-/m1/s1
InChIKey
XPWHXCAXOARGSM-IWSPIJDZSA-N
Compound name
1-[(4aS,6R,7aR)-1-hydroxy-2,4,4a,6,7,7a-hexahydrofuro[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

269.10117 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.10845 159.1
[M+Na]+ 292.09039 168.2
[M-H]- 268.09389 161.8
[M+NH4]+ 287.13499 170.4
[M+K]+ 308.06433 166.4
[M+H-H2O]+ 252.09843 151.3
[M+HCOO]- 314.09937 171.5
[M+CH3COO]- 328.11502 169.8
[M+Na-2H]- 290.07584 161.4
[M]+ 269.10062 157.9
[M]- 269.10172 157.9
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.