CID 9652460

4-(2-((3,4-dimethylphenoxy)ac)carbohydrazonoyl)-2-methoxyphenyl 3-phenylacrylate

Structural Information

Molecular Formula
C27H26N2O5
SMILES
CC1=C(C=C(C=C1)OCC(=O)N/N=C/C2=CC(=C(C=C2)OC(=O)/C=C/C3=CC=CC=C3)OC)C
InChI
InChI=1S/C27H26N2O5/c1-19-9-12-23(15-20(19)2)33-18-26(30)29-28-17-22-10-13-24(25(16-22)32-3)34-27(31)14-11-21-7-5-4-6-8-21/h4-17H,18H2,1-3H3,(H,29,30)/b14-11+,28-17+
InChIKey
DJAYYXPUDFLRRL-XKUSBHSNSA-N
Compound name
[4-[(E)-[[2-(3,4-dimethylphenoxy)acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] (E)-3-phenylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

458.18417 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.19145 213.3
[M+Na]+ 481.17339 225.9
[M+NH4]+ 476.21799 217.9
[M+K]+ 497.14733 217.9
[M-H]- 457.17689 219.1
[M+Na-2H]- 479.15884 221.4
[M]+ 458.18362 216.5
[M]- 458.18472 216.5
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.