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 214.7
[M+Na]+ 549.01872 223.0
[M-H]- 525.02222 226.8
[M+NH4]+ 544.06332 224.7
[M+K]+ 564.99266 209.1
[M+H-H2O]+ 509.02676 210.1
[M+HCOO]- 571.02770 232.1
[M+CH3COO]- 585.04335 242.4
[M+Na-2H]- 547.00417 215.8
[M]+ 526.02895 238.4
[M]- 526.03005 238.4
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.