CID 135802701

Acetyldialuric acid diphenylhydrazone

Structural Information

Molecular Formula
C18H16N4O4
SMILES
CC(=O)OC1C(=O)NC(=NN(C2=CC=CC=C2)C3=CC=CC=C3)NC1=O
InChI
InChI=1S/C18H16N4O4/c1-12(23)26-15-16(24)19-18(20-17(15)25)21-22(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11,15H,1H3,(H2,19,20,21,24,25)
InChIKey
WCMCZWXDPSHMDQ-UHFFFAOYSA-N
Compound name
[2-(diphenylhydrazinylidene)-4,6-dioxo-1,3-diazinan-5-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.11716 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.12444 179.9
[M+Na]+ 375.10638 184.0
[M-H]- 351.10988 186.3
[M+NH4]+ 370.15098 188.2
[M+K]+ 391.08032 180.0
[M+H-H2O]+ 335.11442 168.7
[M+HCOO]- 397.11536 198.8
[M+CH3COO]- 411.13101 216.2
[M+Na-2H]- 373.09183 182.5
[M]+ 352.11661 175.7
[M]- 352.11771 175.7
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.