CID 470132

Nsc695831

Structural Information

Molecular Formula
C11H16N2O5
SMILES
CC1=CN(C(=O)NC1=O)[C@@H]2CO[C@@H]([C@H]2CO)CO
InChI
InChI=1S/C11H16N2O5/c1-6-2-13(11(17)12-10(6)16)8-5-18-9(4-15)7(8)3-14/h2,7-9,14-15H,3-5H2,1H3,(H,12,16,17)/t7-,8+,9+/m0/s1
InChIKey
SYICAYMVBFOIJM-DJLDLDEBSA-N
Compound name
1-[(3S,4R,5S)-4,5-bis(hydroxymethyl)oxolan-3-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

256.10593 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.11321 154.9
[M+Na]+ 279.09515 164.0
[M-H]- 255.09865 156.6
[M+NH4]+ 274.13975 168.1
[M+K]+ 295.06909 161.0
[M+H-H2O]+ 239.10319 148.1
[M+HCOO]- 301.10413 171.3
[M+CH3COO]- 315.11978 187.1
[M+Na-2H]- 277.08060 155.9
[M]+ 256.10538 154.7
[M]- 256.10648 154.7
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