CID 9662484

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

Structural Information

Molecular Formula
C24H19BrN2O4
SMILES
COC1=C(C=CC(=C1)/C=N/NC(=O)C2=CC=C(C=C2)Br)OC(=O)/C=C/C3=CC=CC=C3
InChI
InChI=1S/C24H19BrN2O4/c1-30-22-15-18(16-26-27-24(29)19-9-11-20(25)12-10-19)7-13-21(22)31-23(28)14-8-17-5-3-2-4-6-17/h2-16H,1H3,(H,27,29)/b14-8+,26-16+
InChIKey
TXTRXOCRLLFQNH-JQUAZWMLSA-N
Compound name
[4-[(E)-[(4-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 205.0
[M+Na]+ 501.04205 211.9
[M-H]- 477.04555 217.0
[M+NH4]+ 496.08665 215.6
[M+K]+ 517.01599 199.7
[M+H-H2O]+ 461.05009 199.8
[M+HCOO]- 523.05103 227.0
[M+CH3COO]- 537.06668 234.8
[M+Na-2H]- 499.02750 207.6
[M]+ 478.05228 225.5
[M]- 478.05338 225.5
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.