CID 9635507

4-br-2-(2-((2-isopropyl-5-methylphenoxy)ac)carbohydrazonoyl)ph 2-chlorobenzoate

Structural Information

Molecular Formula
C26H24BrClN2O4
SMILES
CC1=CC(=C(C=C1)C(C)C)OCC(=O)N/N=C/C2=C(C=CC(=C2)Br)OC(=O)C3=CC=CC=C3Cl
InChI
InChI=1S/C26H24BrClN2O4/c1-16(2)20-10-8-17(3)12-24(20)33-15-25(31)30-29-14-18-13-19(27)9-11-23(18)34-26(32)21-6-4-5-7-22(21)28/h4-14,16H,15H2,1-3H3,(H,30,31)/b29-14+
InChIKey
XUTQKCPRZIWEQT-IPPBACCNSA-N
Compound name
[4-bromo-2-[(E)-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

542.0608 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 543.06808 220.0
[M+Na]+ 565.05002 228.1
[M-H]- 541.05352 232.3
[M+NH4]+ 560.09462 229.7
[M+K]+ 581.02396 215.3
[M+H-H2O]+ 525.05806 215.5
[M+HCOO]- 587.05900 236.0
[M+CH3COO]- 601.07465 247.7
[M+Na-2H]- 563.03547 218.9
[M]+ 542.06025 244.6
[M]- 542.06135 244.6
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.