CID 9639820

4-(2-((4-butoxyphenoxy)acetyl)carbohydrazonoyl)-2-ethoxyphenyl 4-methoxybenzoate

Structural Information

Molecular Formula
C29H32N2O7
SMILES
CCCCOC1=CC=C(C=C1)OCC(=O)N/N=C/C2=CC(=C(C=C2)OC(=O)C3=CC=C(C=C3)OC)OCC
InChI
InChI=1S/C29H32N2O7/c1-4-6-17-36-24-12-14-25(15-13-24)37-20-28(32)31-30-19-21-7-16-26(27(18-21)35-5-2)38-29(33)22-8-10-23(34-3)11-9-22/h7-16,18-19H,4-6,17,20H2,1-3H3,(H,31,32)/b30-19+
InChIKey
NOHDIBNMFNLOAX-NDZAJKAJSA-N
Compound name
[4-[(E)-[[2-(4-butoxyphenoxy)acetyl]hydrazinylidene]methyl]-2-ethoxyphenyl] 4-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

520.22095 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 521.22823 228.2
[M+Na]+ 543.21017 239.2
[M+NH4]+ 538.25477 231.5
[M+K]+ 559.18411 232.0
[M-H]- 519.21367 233.1
[M+Na-2H]- 541.19562 235.0
[M]+ 520.22040 230.9
[M]- 520.22150 230.9
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.