CID 496566

Nsc694144

Structural Information

Molecular Formula
C12H17N3O5
SMILES
CC1N([C@@H]2C[C@@H](O[C@@H]2CO1)N3C=C(C(=O)NC3=O)C)O
InChI
InChI=1S/C12H17N3O5/c1-6-4-14(12(17)13-11(6)16)10-3-8-9(20-10)5-19-7(2)15(8)18/h4,7-10,18H,3,5H2,1-2H3,(H,13,16,17)/t7?,8-,9-,10-/m1/s1
InChIKey
AEFHKJLXHHRRMZ-NPTNVHDASA-N
Compound name
1-[(4aS,6R,7aR)-1-hydroxy-2-methyl-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

283.11682 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.12410 164.5
[M+Na]+ 306.10604 174.0
[M-H]- 282.10954 167.4
[M+NH4]+ 301.15064 175.4
[M+K]+ 322.07998 172.0
[M+H-H2O]+ 266.11408 156.8
[M+HCOO]- 328.11502 176.5
[M+CH3COO]- 342.13067 195.9
[M+Na-2H]- 304.09149 165.5
[M]+ 283.11627 164.1
[M]- 283.11737 164.1
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.