CID 469086

Schembl544600

Structural Information

Molecular Formula
C11H15N3O5
SMILES
C1CONC2=NC(=O)N(C=C21)[C@H]3C[C@@H]([C@H](O3)CO)O
InChI
InChI=1S/C11H15N3O5/c15-5-8-7(16)3-9(19-8)14-4-6-1-2-18-13-10(6)12-11(14)17/h4,7-9,15-16H,1-3,5H2,(H,12,13,17)/t7-,8+,9+/m0/s1
InChIKey
YTWREPAHBKYMNI-DJLDLDEBSA-N
Compound name
6-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,4-dihydro-1H-pyrimido[4,5-c]oxazin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

69
Patents

269.10117 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.10845 159.2
[M+Na]+ 292.09039 166.7
[M-H]- 268.09389 160.2
[M+NH4]+ 287.13499 169.5
[M+K]+ 308.06433 164.7
[M+H-H2O]+ 252.09843 151.3
[M+HCOO]- 314.09937 170.0
[M+CH3COO]- 328.11502 168.9
[M+Na-2H]- 290.07584 161.9
[M]+ 269.10062 156.6
[M]- 269.10172 156.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe