CID 9611111

2-(2-((2-allylphenoxy)acetyl)carbohydrazonoyl)-4-bromophenyl 2-chlorobenzoate

Structural Information

Molecular Formula
C25H20BrClN2O4
SMILES
C=CCC1=CC=CC=C1OCC(=O)N/N=C/C2=C(C=CC(=C2)Br)OC(=O)C3=CC=CC=C3Cl
InChI
InChI=1S/C25H20BrClN2O4/c1-2-7-17-8-3-6-11-22(17)32-16-24(30)29-28-15-18-14-19(26)12-13-23(18)33-25(31)20-9-4-5-10-21(20)27/h2-6,8-15H,1,7,16H2,(H,29,30)/b28-15+
InChIKey
DJWAMNNHFZQQGS-RWPZCVJISA-N
Compound name
[4-bromo-2-[(E)-[[2-(2-prop-2-enylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

526.0295 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 527.03678 211.9
[M+Na]+ 549.01872 216.5
[M+NH4]+ 544.06332 214.3
[M+K]+ 564.99266 213.6
[M-H]- 525.02222 216.0
[M+Na-2H]- 547.00417 216.9
[M]+ 526.02895 212.8
[M]- 526.03005 212.8
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.