CID 495368

Nsc651412

Structural Information

Molecular Formula
C11H16N2O6
SMILES
CC1=CN(C(=O)NC1=O)[C@@H]2[C@H]([C@H](C(O2)(C)CO)O)O
InChI
InChI=1S/C11H16N2O6/c1-5-3-13(10(18)12-8(5)17)9-6(15)7(16)11(2,4-14)19-9/h3,6-7,9,14-16H,4H2,1-2H3,(H,12,17,18)/t6-,7+,9-,11?/m0/s1
InChIKey
YEINCFMPBYLFKQ-OJGHTEBESA-N
Compound name
1-[(2S,3S,4R)-3,4-dihydroxy-5-(hydroxymethyl)-5-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

272.10083 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.10811 156.2
[M+Na]+ 295.09005 166.5
[M-H]- 271.09355 157.2
[M+NH4]+ 290.13465 170.2
[M+K]+ 311.06399 163.7
[M+H-H2O]+ 255.09809 150.7
[M+HCOO]- 317.09903 171.2
[M+CH3COO]- 331.11468 188.4
[M+Na-2H]- 293.07550 157.8
[M]+ 272.10028 156.6
[M]- 272.10138 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

No patent data available for this compound.