CID 469094

6-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1-methyl-3,4-dihydropyrimido[4,5-c]oxazin-7-one

Structural Information

Molecular Formula
C12H17N3O5
SMILES
CN1C2=NC(=O)N(C=C2CCO1)[C@H]3C[C@@H]([C@H](O3)CO)O
InChI
InChI=1S/C12H17N3O5/c1-14-11-7(2-3-19-14)5-15(12(18)13-11)10-4-8(17)9(6-16)20-10/h5,8-10,16-17H,2-4,6H2,1H3/t8-,9+,10+/m0/s1
InChIKey
QWIMSANSFDHPKU-IVZWLZJFSA-N
Compound name
6-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-methyl-3,4-dihydropyrimido[4,5-c]oxazin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.11682 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.12410 164.1
[M+Na]+ 306.10604 172.5
[M-H]- 282.10954 166.7
[M+NH4]+ 301.15064 174.8
[M+K]+ 322.07998 171.1
[M+H-H2O]+ 266.11408 156.1
[M+HCOO]- 328.11502 176.0
[M+CH3COO]- 342.13067 195.1
[M+Na-2H]- 304.09149 166.0
[M]+ 283.11627 164.0
[M]- 283.11737 164.0
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.