CID 135568450

Acetyldialuric acid m-methoxybenzoylhydrazone

Structural Information

Molecular Formula
C14H14N4O6
SMILES
CC(=O)OC1C(=O)NC(=NNC(=O)C2=CC(=CC=C2)OC)NC1=O
InChI
InChI=1S/C14H14N4O6/c1-7(19)24-10-12(21)15-14(16-13(10)22)18-17-11(20)8-4-3-5-9(6-8)23-2/h3-6,10H,1-2H3,(H,17,20)(H2,15,16,18,21,22)
InChIKey
IEYQKPKPYVRNBA-UHFFFAOYSA-N
Compound name
[2-[(3-methoxybenzoyl)hydrazinylidene]-4,6-dioxo-1,3-diazinan-5-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.09134 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.09862 172.2
[M+Na]+ 357.08056 177.4
[M-H]- 333.08406 174.8
[M+NH4]+ 352.12516 181.3
[M+K]+ 373.05450 174.9
[M+H-H2O]+ 317.08860 162.9
[M+HCOO]- 379.08954 190.2
[M+CH3COO]- 393.10519 210.6
[M+Na-2H]- 355.06601 173.3
[M]+ 334.09079 169.9
[M]- 334.09189 169.9
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.