CID 9658455

4-(2-(bis(4-chlorophenoxy)acetyl)carbohydrazonoyl)-2-methoxyphenyl 3-ph-acrylate

Structural Information

Molecular Formula
C31H24Cl2N2O6
SMILES
COC1=C(C=CC(=C1)/C=N/NC(=O)C(OC2=CC=C(C=C2)Cl)OC3=CC=C(C=C3)Cl)OC(=O)/C=C/C4=CC=CC=C4
InChI
InChI=1S/C31H24Cl2N2O6/c1-38-28-19-22(7-17-27(28)41-29(36)18-8-21-5-3-2-4-6-21)20-34-35-30(37)31(39-25-13-9-23(32)10-14-25)40-26-15-11-24(33)12-16-26/h2-20,31H,1H3,(H,35,37)/b18-8+,34-20+
InChIKey
ZNVLTCAYAVZHSM-OWMXODNISA-N
Compound name
[4-[(E)-[[2,2-bis(4-chlorophenoxy)acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] (E)-3-phenylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

590.10114 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 591.10842 239.1
[M+Na]+ 613.09036 254.1
[M+NH4]+ 608.13496 243.9
[M+K]+ 629.06430 244.3
[M-H]- 589.09386 246.7
[M+Na-2H]- 611.07581 249.0
[M]+ 590.10059 243.9
[M]- 590.10169 243.9
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.