CID 9657006

4-(2-((2-isopropyl-5-methylphenoxy)ac)carbohydrazonoyl)phenyl 4-chlorobenzoate

Structural Information

Molecular Formula
C26H25ClN2O4
SMILES
CC1=CC(=C(C=C1)C(C)C)OCC(=O)N/N=C/C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C26H25ClN2O4/c1-17(2)23-13-4-18(3)14-24(23)32-16-25(30)29-28-15-19-5-11-22(12-6-19)33-26(31)20-7-9-21(27)10-8-20/h4-15,17H,16H2,1-3H3,(H,29,30)/b28-15+
InChIKey
UXYZIZJNUUQVFH-RWPZCVJISA-N
Compound name
[4-[(E)-[[2-(5-methyl-2-propan-2-ylphenoxy)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

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.15758 212.8
[M+Na]+ 487.13952 226.6
[M+NH4]+ 482.18412 218.7
[M+K]+ 503.11346 218.2
[M-H]- 463.14302 219.3
[M+Na-2H]- 485.12497 221.4
[M]+ 464.14975 216.8
[M]- 464.15085 216.8
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.