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]+ 228.06149 144.4
[M+Na]+ 250.04343 152.7
[M-H]- 226.04693 143.4
[M+NH4]+ 245.08803 158.1
[M+K]+ 266.01737 150.3
[M+H-H2O]+ 210.05147 137.1
[M+HCOO]- 272.05241 164.5
[M+CH3COO]- 286.06806 183.4
[M+Na-2H]- 248.02888 148.8
[M]+ 227.05366 144.1
[M]- 227.05476 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.