CID 9620519

4-(2-(1,3-benzodioxol-5-ylcarbonyl)carbohydrazonoyl)-2-meo-ph 3-phenylacrylate

Structural Information

Molecular Formula
C25H20N2O6
SMILES
COC1=C(C=CC(=C1)/C=N/NC(=O)C2=CC3=C(C=C2)OCO3)OC(=O)/C=C/C4=CC=CC=C4
InChI
InChI=1S/C25H20N2O6/c1-30-22-13-18(7-10-21(22)33-24(28)12-8-17-5-3-2-4-6-17)15-26-27-25(29)19-9-11-20-23(14-19)32-16-31-20/h2-15H,16H2,1H3,(H,27,29)/b12-8+,26-15+
InChIKey
CBEXIJNVGUWYQA-SWHCIYJKSA-N
Compound name
[4-[(E)-(1,3-benzodioxole-5-carbonylhydrazinylidene)methyl]-2-methoxyphenyl] (E)-3-phenylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

444.13214 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.13942 206.2
[M+Na]+ 467.12136 218.1
[M+NH4]+ 462.16596 211.2
[M+K]+ 483.09530 213.5
[M-H]- 443.12486 214.2
[M+Na-2H]- 465.10681 212.1
[M]+ 444.13159 209.9
[M]- 444.13269 209.9
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.