CID 475311

1,3-bis(2,3-epoxypropyl)-6-azauracil

Structural Information

Molecular Formula
C9H11N3O4
SMILES
C1C(O1)CN2C(=O)C=NN(C2=O)CC3CO3
InChI
InChI=1S/C9H11N3O4/c13-8-1-10-12(3-7-5-16-7)9(14)11(8)2-6-4-15-6/h1,6-7H,2-5H2
InChIKey
GBSPEKSTQQRLMO-UHFFFAOYSA-N
Compound name
2,4-bis(oxiran-2-ylmethyl)-1,2,4-triazine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

225.07495 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.08223 176.9
[M+Na]+ 248.06417 187.7
[M-H]- 224.06767 184.4
[M+NH4]+ 243.10877 178.4
[M+K]+ 264.03811 185.7
[M+H-H2O]+ 208.07221 167.6
[M+HCOO]- 270.07315 193.8
[M+CH3COO]- 284.08880 199.0
[M+Na-2H]- 246.04962 179.6
[M]+ 225.07440 184.4
[M]- 225.07550 184.4
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