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

18
Patents

224.07971 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.08699 169.4
[M+Na]+ 247.06893 179.8
[M-H]- 223.07243 178.3
[M+NH4]+ 242.11353 172.2
[M+K]+ 263.04287 178.6
[M+H-H2O]+ 207.07697 160.8
[M+HCOO]- 269.07791 187.3
[M+CH3COO]- 283.09356 199.0
[M+Na-2H]- 245.05438 172.7
[M]+ 224.07916 177.1
[M]- 224.08026 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

No patent data available for this compound.