CID 367417

Nsc637135

Structural Information

Molecular Formula
C8H9N3O5
SMILES
CCOC(=O)NC(=O)C1=CNC(=O)NC1=O
InChI
InChI=1S/C8H9N3O5/c1-2-16-8(15)11-6(13)4-3-9-7(14)10-5(4)12/h3H,2H2,1H3,(H,11,13,15)(H2,9,10,12,14)
InChIKey
YAJNYBXRRLUAKC-UHFFFAOYSA-N
Compound name
ethyl N-(2,4-dioxo-1H-pyrimidine-5-carbonyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.05421 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.061486 144.4
[M+Na]+ 250.043428 152.7
[M-H]- 226.046934 143.4
[M+NH4]+ 245.088033 158.1
[M+K]+ 266.017368 150.3
[M+H-H2O]+ 210.051470 137.1
[M+HCOO]- 272.052411 164.5
[M+CH3COO]- 286.068061 183.4
[M+Na-2H]- 248.028876 148.8
[M]+ 227.05366142 144.1
[M]- 227.05475858 144.1
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.