CID 9639248

4-(2-(3-bromobenzoyl)carbohydrazonoyl)-2-methoxyphenyl 3-phenylacrylate

Structural Information

Molecular Formula
C24H19BrN2O4
SMILES
COC1=C(C=CC(=C1)/C=N/NC(=O)C2=CC(=CC=C2)Br)OC(=O)/C=C/C3=CC=CC=C3
InChI
InChI=1S/C24H19BrN2O4/c1-30-22-14-18(16-26-27-24(29)19-8-5-9-20(25)15-19)10-12-21(22)31-23(28)13-11-17-6-3-2-4-7-17/h2-16H,1H3,(H,27,29)/b13-11+,26-16+
InChIKey
WYJRDVZVVHVASJ-OQUGPSRRSA-N
Compound name
[4-[(E)-[(3-bromobenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] (E)-3-phenylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

478.05283 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 479.06011 200.8
[M+Na]+ 501.04205 204.4
[M+NH4]+ 496.08665 203.0
[M+K]+ 517.01599 202.5
[M-H]- 477.04555 204.8
[M+Na-2H]- 499.02750 206.2
[M]+ 478.05228 201.1
[M]- 478.05338 201.1
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.