CID 257290

500291-25-8

Structural Information

Molecular Formula
C8H12N4O4
SMILES
CCC1(C(=O)NC(=O)NC1=O)NC(=O)CN
InChI
InChI=1S/C8H12N4O4/c1-2-8(12-4(13)3-9)5(14)10-7(16)11-6(8)15/h2-3,9H2,1H3,(H,12,13)(H2,10,11,14,15,16)
InChIKey
USKWEAZKNQWKOU-UHFFFAOYSA-N
Compound name
2-amino-N-(5-ethyl-2,4,6-trioxo-1,3-diazinan-5-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.08586 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.09314 148.1
[M+Na]+ 251.07508 154.7
[M-H]- 227.07858 145.9
[M+NH4]+ 246.11968 163.1
[M+K]+ 267.04902 151.9
[M+H-H2O]+ 211.08312 142.1
[M+HCOO]- 273.08406 165.0
[M+CH3COO]- 287.09971 188.3
[M+Na-2H]- 249.06053 150.8
[M]+ 228.08531 142.0
[M]- 228.08641 142.0
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.