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 206.4
[M+Na]+ 467.12136 211.0
[M-H]- 443.12486 219.2
[M+NH4]+ 462.16596 214.5
[M+K]+ 483.09530 209.7
[M+H-H2O]+ 427.12940 196.3
[M+HCOO]- 489.13034 228.7
[M+CH3COO]- 503.14599 234.3
[M+Na-2H]- 465.10681 208.9
[M]+ 444.13159 211.5
[M]- 444.13269 211.5
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.