CID 9654083

4-(2-((4-ethylphenoxy)acetyl)carbohydrazonoyl)-2-methoxyphenyl 3-phenylacrylate

Structural Information

Molecular Formula
C27H26N2O5
SMILES
CCC1=CC=C(C=C1)OCC(=O)N/N=C/C2=CC(=C(C=C2)OC(=O)/C=C/C3=CC=CC=C3)OC
InChI
InChI=1S/C27H26N2O5/c1-3-20-9-13-23(14-10-20)33-19-26(30)29-28-18-22-11-15-24(25(17-22)32-2)34-27(31)16-12-21-7-5-4-6-8-21/h4-18H,3,19H2,1-2H3,(H,29,30)/b16-12+,28-18+
InChIKey
FKGDUDBFCZACNR-ZZTXFNBYSA-N
Compound name
[4-[(E)-[[2-(4-ethylphenoxy)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

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.19145 212.9
[M+Na]+ 481.17339 216.2
[M-H]- 457.17689 222.8
[M+NH4]+ 476.21799 220.3
[M+K]+ 497.14733 212.1
[M+H-H2O]+ 441.18143 200.8
[M+HCOO]- 503.18237 237.0
[M+CH3COO]- 517.19802 239.1
[M+Na-2H]- 479.15884 213.5
[M]+ 458.18362 217.7
[M]- 458.18472 217.7
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.