CID 45055099

4-(2-((4-ethylphenoxy)acetyl)carbohydrazonoyl)-2-methoxyphenyl 4-ethoxybenzoate

Structural Information

Molecular Formula
C27H28N2O6
SMILES
CCC1=CC=C(C=C1)OCC(=O)N/N=C/C2=CC(=C(C=C2)OC(=O)C3=CC=C(C=C3)OCC)OC
InChI
InChI=1S/C27H28N2O6/c1-4-19-6-11-23(12-7-19)34-18-26(30)29-28-17-20-8-15-24(25(16-20)32-3)35-27(31)21-9-13-22(14-10-21)33-5-2/h6-17H,4-5,18H2,1-3H3,(H,29,30)/b28-17+
InChIKey
CWAUCNQSOBSHGP-OGLMXYFKSA-N
Compound name
[4-[(E)-[[2-(4-ethylphenoxy)acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 4-ethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

476.19473 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 477.20201 216.3
[M+Na]+ 499.18395 219.8
[M-H]- 475.18745 226.5
[M+NH4]+ 494.22855 223.2
[M+K]+ 515.15789 217.3
[M+H-H2O]+ 459.19199 204.0
[M+HCOO]- 521.19293 240.3
[M+CH3COO]- 535.20858 243.9
[M+Na-2H]- 497.16940 216.4
[M]+ 476.19418 223.6
[M]- 476.19528 223.6
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.