CID 51060389

4-bromo-2-(2-(2-(2,4-dichlorophenoxy)propanoyl)carbohydrazonoyl)phenyl 2-methylbenzoate

Structural Information

Molecular Formula
C24H19BrCl2N2O4
SMILES
CC1=CC=CC=C1C(=O)OC2=C(C=C(C=C2)Br)/C=N/NC(=O)C(C)OC3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C24H19BrCl2N2O4/c1-14-5-3-4-6-19(14)24(31)33-21-9-7-17(25)11-16(21)13-28-29-23(30)15(2)32-22-10-8-18(26)12-20(22)27/h3-13,15H,1-2H3,(H,29,30)/b28-13+
InChIKey
AYRNXEOMASTUKC-XODNFHPESA-N
Compound name
[4-bromo-2-[(E)-[2-(2,4-dichlorophenoxy)propanoylhydrazinylidene]methyl]phenyl] 2-methylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

547.99054 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 548.99782 213.0
[M+Na]+ 570.97976 218.4
[M+NH4]+ 566.02436 215.8
[M+K]+ 586.95370 215.8
[M-H]- 546.98326 217.1
[M+Na-2H]- 568.96521 217.7
[M]+ 547.98999 214.3
[M]- 547.99109 214.3
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.