CID 135416873

Acetyldialuric acid semicarbazone

Structural Information

Molecular Formula
C7H9N5O5
SMILES
CC(=O)OC1C(=O)NC(=NNC(=O)N)NC1=O
InChI
InChI=1S/C7H9N5O5/c1-2(13)17-3-4(14)9-7(10-5(3)15)12-11-6(8)16/h3H,1H3,(H3,8,11,16)(H2,9,10,12,14,15)
InChIKey
XRSFLOLOUFJWQN-UHFFFAOYSA-N
Compound name
[2-(carbamoylhydrazinylidene)-4,6-dioxo-1,3-diazinan-5-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.06036 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.06764 149.9
[M+Na]+ 266.04958 154.4
[M+NH4]+ 261.09418 151.8
[M+K]+ 282.02352 154.4
[M-H]- 242.05308 146.9
[M+Na-2H]- 264.03503 149.2
[M]+ 243.05981 148.5
[M]- 243.06091 148.5
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.