CID 9639164

4-br-2-(2-(2-((4-chlorobenzyl)oxy)benzoyl)carbohydrazonoyl)ph 4-chlorobenzoate

Structural Information

Molecular Formula
C28H19BrCl2N2O4
SMILES
C1=CC=C(C(=C1)C(=O)N/N=C/C2=C(C=CC(=C2)Br)OC(=O)C3=CC=C(C=C3)Cl)OCC4=CC=C(C=C4)Cl
InChI
InChI=1S/C28H19BrCl2N2O4/c29-21-9-14-25(37-28(35)19-7-12-23(31)13-8-19)20(15-21)16-32-33-27(34)24-3-1-2-4-26(24)36-17-18-5-10-22(30)11-6-18/h1-16H,17H2,(H,33,34)/b32-16+
InChIKey
DAHFSNQUKLDQLT-KPGMTVGESA-N
Compound name
[4-bromo-2-[(E)-[[2-[(4-chlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

595.99054 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 596.99782 227.6
[M+Na]+ 618.97976 235.0
[M+NH4]+ 614.02436 230.9
[M+K]+ 634.95370 230.2
[M-H]- 594.98326 234.1
[M+Na-2H]- 616.96521 234.6
[M]+ 595.98999 230.1
[M]- 595.99109 230.1
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.