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]+ 284.124096 164.1
[M+Na]+ 306.106038 172.5
[M-H]- 282.109544 166.7
[M+NH4]+ 301.150643 174.8
[M+K]+ 322.079978 171.1
[M+H-H2O]+ 266.114080 156.1
[M+HCOO]- 328.115021 176.0
[M+CH3COO]- 342.130671 195.1
[M+Na-2H]- 304.091486 166.0
[M]+ 283.11627142 164.0
[M]- 283.11736858 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.