CID 45055133

4-(2-((4-bromophenoxy)acetyl)carbohydrazonoyl)-2-ethoxyphenyl 4-chlorobenzoate

Structural Information

Molecular Formula
C24H20BrClN2O5
SMILES
CCOC1=C(C=CC(=C1)/C=N/NC(=O)COC2=CC=C(C=C2)Br)OC(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C24H20BrClN2O5/c1-2-31-22-13-16(3-12-21(22)33-24(30)17-4-8-19(26)9-5-17)14-27-28-23(29)15-32-20-10-6-18(25)7-11-20/h3-14H,2,15H2,1H3,(H,28,29)/b27-14+
InChIKey
WPAGGTKJRRQNBH-MZJWZYIUSA-N
Compound name
[4-[(E)-[[2-(4-bromophenoxy)acetyl]hydrazinylidene]methyl]-2-ethoxyphenyl] 4-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

530.0244 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 531.03168 213.0
[M+Na]+ 553.01362 221.2
[M-H]- 529.01712 225.3
[M+NH4]+ 548.05822 222.9
[M+K]+ 568.98756 208.9
[M+H-H2O]+ 513.02166 208.4
[M+HCOO]- 575.02260 230.8
[M+CH3COO]- 589.03825 242.3
[M+Na-2H]- 550.99907 214.9
[M]+ 530.02385 238.4
[M]- 530.02495 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.