CID 51060449

4-(2-((2-methoxyphenoxy)acetyl)carbohydrazonoyl)phenyl 4-ethoxybenzoate

Structural Information

Molecular Formula
C25H24N2O6
SMILES
CCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)/C=N/NC(=O)COC3=CC=CC=C3OC
InChI
InChI=1S/C25H24N2O6/c1-3-31-20-14-10-19(11-15-20)25(29)33-21-12-8-18(9-13-21)16-26-27-24(28)17-32-23-7-5-4-6-22(23)30-2/h4-16H,3,17H2,1-2H3,(H,27,28)/b26-16+
InChIKey
LNCUMMIUCAMCDA-WGOQTCKBSA-N
Compound name
[4-[(E)-[[2-(2-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-ethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

448.16342 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.170696 207.0
[M+Na]+ 471.152638 210.6
[M-H]- 447.156144 217.3
[M+NH4]+ 466.197243 214.8
[M+K]+ 487.126578 208.4
[M+H-H2O]+ 431.160680 195.0
[M+HCOO]- 493.161621 231.9
[M+CH3COO]- 507.177271 236.8
[M+Na-2H]- 469.138086 208.9
[M]+ 448.16287142 213.3
[M]- 448.16396858 213.3
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.