CID 10331953

Chembl99533

Structural Information

Molecular Formula
C10H14N2O5
SMILES
C=CC1=CN(C(=O)NC1=O)COC(CO)CO
InChI
InChI=1S/C10H14N2O5/c1-2-7-3-12(10(16)11-9(7)15)6-17-8(4-13)5-14/h2-3,8,13-14H,1,4-6H2,(H,11,15,16)
InChIKey
YABLVCZQZKBEEI-UHFFFAOYSA-N
Compound name
1-(1,3-dihydroxypropan-2-yloxymethyl)-5-ethenylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

16
Patents

242.09027 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.097546 150.3
[M+Na]+ 265.079488 158.9
[M-H]- 241.082994 147.7
[M+NH4]+ 260.124093 163.3
[M+K]+ 281.053428 155.2
[M+H-H2O]+ 225.087530 143.3
[M+HCOO]- 287.088471 168.0
[M+CH3COO]- 301.104121 184.9
[M+Na-2H]- 263.064936 153.2
[M]+ 242.08972142 151.6
[M]- 242.09081858 151.6
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