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 227.1
[M+Na]+ 543.21017 229.3
[M-H]- 519.21367 236.8
[M+NH4]+ 538.25477 231.9
[M+K]+ 559.18411 227.3
[M+H-H2O]+ 503.21821 214.1
[M+HCOO]- 565.21915 250.5
[M+CH3COO]- 579.23480 251.7
[M+Na-2H]- 541.19562 226.4
[M]+ 520.22040 236.4
[M]- 520.22150 236.4
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.