CID 475309

1,3-bis(2,3-epoxypropyl)uracil

Structural Information

Molecular Formula
C10H12N2O4
SMILES
C1C(O1)CN2C=CC(=O)N(C2=O)CC3CO3
InChI
InChI=1S/C10H12N2O4/c13-9-1-2-11(3-7-5-15-7)10(14)12(9)4-8-6-16-8/h1-2,7-8H,3-6H2
InChIKey
QDVZPCLHYXRBJB-UHFFFAOYSA-N
Compound name
1,3-bis(oxiran-2-ylmethyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

224.07971 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.086986 169.4
[M+Na]+ 247.068928 179.8
[M-H]- 223.072434 178.3
[M+NH4]+ 242.113533 172.2
[M+K]+ 263.042868 178.6
[M+H-H2O]+ 207.076970 160.8
[M+HCOO]- 269.077911 187.3
[M+CH3COO]- 283.093561 199.0
[M+Na-2H]- 245.054376 172.7
[M]+ 224.07916142 177.1
[M]- 224.08025858 177.1
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

patents stripe