CID 135802700

Acetyldialuric acid phenylhydrazone

Structural Information

Molecular Formula
C12H12N4O4
SMILES
CC(=O)OC1C(=O)NC(=NNC2=CC=CC=C2)NC1=O
InChI
InChI=1S/C12H12N4O4/c1-7(17)20-9-10(18)13-12(14-11(9)19)16-15-8-5-3-2-4-6-8/h2-6,9,15H,1H3,(H2,13,14,16,18,19)
InChIKey
WZJJTFLTXCEEKV-UHFFFAOYSA-N
Compound name
[4,6-dioxo-2-(phenylhydrazinylidene)-1,3-diazinan-5-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.08585 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.09313 160.8
[M+Na]+ 299.07507 169.7
[M+NH4]+ 294.11967 164.9
[M+K]+ 315.04901 166.0
[M-H]- 275.07857 161.5
[M+Na-2H]- 297.06052 164.9
[M]+ 276.08530 161.5
[M]- 276.08640 161.5
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.