CID 9628644

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

Structural Information

Molecular Formula
C26H25ClN2O4
SMILES
CC1=C(C=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)21-7-4-18(3)24(14-21)32-16-25(30)29-28-15-19-5-12-23(13-6-19)33-26(31)20-8-10-22(27)11-9-20/h4-15,17H,16H2,1-3H3,(H,29,30)/b28-15+
InChIKey
YUSYBGIXXZFMRS-RWPZCVJISA-N
Compound name
[4-[(E)-[[2-(2-methyl-5-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 213.4
[M+Na]+ 487.13952 218.6
[M-H]- 463.14302 223.9
[M+NH4]+ 482.18412 222.1
[M+K]+ 503.11346 213.6
[M+H-H2O]+ 447.14756 203.0
[M+HCOO]- 509.14850 232.2
[M+CH3COO]- 523.16415 240.9
[M+Na-2H]- 485.12497 212.1
[M]+ 464.14975 220.0
[M]- 464.15085 220.0
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.