CID 9612403

4-(2-((4-butylphenoxy)acetyl)carbohydrazonoyl)phenyl 4-chlorobenzoate

Structural Information

Molecular Formula
C26H25ClN2O4
SMILES
CCCCC1=CC=C(C=C1)OCC(=O)N/N=C/C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C26H25ClN2O4/c1-2-3-4-19-5-13-23(14-6-19)32-18-25(30)29-28-17-20-7-15-24(16-8-20)33-26(31)21-9-11-22(27)12-10-21/h5-17H,2-4,18H2,1H3,(H,29,30)/b28-17+
InChIKey
DWLKKRUICKPIAD-OGLMXYFKSA-N
Compound name
[4-[(E)-[[2-(4-butylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

464.1503 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.15758 213.6
[M+Na]+ 487.13952 227.4
[M+NH4]+ 482.18412 219.6
[M+K]+ 503.11346 217.9
[M-H]- 463.14302 220.2
[M+Na-2H]- 485.12497 222.7
[M]+ 464.14975 217.7
[M]- 464.15085 217.7
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.