CID 9611282

4-(2-benzoylcarbohydrazonoyl)-2-methoxyphenyl 3-phenylacrylate

Structural Information

Molecular Formula
C24H20N2O4
SMILES
COC1=C(C=CC(=C1)/C=N/NC(=O)C2=CC=CC=C2)OC(=O)/C=C/C3=CC=CC=C3
InChI
InChI=1S/C24H20N2O4/c1-29-22-16-19(17-25-26-24(28)20-10-6-3-7-11-20)12-14-21(22)30-23(27)15-13-18-8-4-2-5-9-18/h2-17H,1H3,(H,26,28)/b15-13+,25-17+
InChIKey
GBSKJHUTSGXYMY-NBKMAVCRSA-N
Compound name
[4-[(E)-(benzoylhydrazinylidene)methyl]-2-methoxyphenyl] (E)-3-phenylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.1423 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.14958 196.7
[M+Na]+ 423.13152 200.9
[M-H]- 399.13502 206.9
[M+NH4]+ 418.17612 206.5
[M+K]+ 439.10546 196.4
[M+H-H2O]+ 383.13956 185.5
[M+HCOO]- 445.14050 221.9
[M+CH3COO]- 459.15615 227.0
[M+Na-2H]- 421.11697 199.5
[M]+ 400.14175 198.8
[M]- 400.14285 198.8
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.