CID 45055303

4-(2-((4-butylphenoxy)acetyl)carbohydrazonoyl)-2-ethoxyphenyl 4-ethoxybenzoate

Structural Information

Molecular Formula
C30H34N2O6
SMILES
CCCCC1=CC=C(C=C1)OCC(=O)N/N=C/C2=CC(=C(C=C2)OC(=O)C3=CC=C(C=C3)OCC)OCC
InChI
InChI=1S/C30H34N2O6/c1-4-7-8-22-9-14-26(15-10-22)37-21-29(33)32-31-20-23-11-18-27(28(19-23)36-6-3)38-30(34)24-12-16-25(17-13-24)35-5-2/h9-20H,4-8,21H2,1-3H3,(H,32,33)/b31-20+
InChIKey
INAINLMJFHZGIO-AJBULDERSA-N
Compound name
[4-[(E)-[[2-(4-butylphenoxy)acetyl]hydrazinylidene]methyl]-2-ethoxyphenyl] 4-ethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

518.2417 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 519.24898 229.4
[M+Na]+ 541.23092 231.5
[M-H]- 517.23442 238.9
[M+NH4]+ 536.27552 234.5
[M+K]+ 557.20486 228.5
[M+H-H2O]+ 501.23896 216.5
[M+HCOO]- 563.23990 252.4
[M+CH3COO]- 577.25555 252.4
[M+Na-2H]- 539.21637 227.9
[M]+ 518.24115 237.7
[M]- 518.24225 237.7
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.