CID 51060346

4-(2-(2-(4-br-phenoxy)propanoyl)carbohydrazonoyl)-2-methoxyphenyl 2-cl-benzoate

Structural Information

Molecular Formula
C24H20BrClN2O5
SMILES
CC(C(=O)N/N=C/C1=CC(=C(C=C1)OC(=O)C2=CC=CC=C2Cl)OC)OC3=CC=C(C=C3)Br
InChI
InChI=1S/C24H20BrClN2O5/c1-15(32-18-10-8-17(25)9-11-18)23(29)28-27-14-16-7-12-21(22(13-16)31-2)33-24(30)19-5-3-4-6-20(19)26/h3-15H,1-2H3,(H,28,29)/b27-14+
InChIKey
BTRTULDMAHUTDO-MZJWZYIUSA-N
Compound name
[4-[(E)-[2-(4-bromophenoxy)propanoylhydrazinylidene]methyl]-2-methoxyphenyl] 2-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

530.0244 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 531.03168 212.9
[M+Na]+ 553.01362 220.7
[M-H]- 529.01712 225.2
[M+NH4]+ 548.05822 222.6
[M+K]+ 568.98756 209.0
[M+H-H2O]+ 513.02166 208.4
[M+HCOO]- 575.02260 229.7
[M+CH3COO]- 589.03825 243.1
[M+Na-2H]- 550.99907 213.7
[M]+ 530.02385 237.7
[M]- 530.02495 237.7
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.