CID 45055298

2(2-(2-((1,1'-biphenyl)-4-yloxy)propanoyl)carbohydrazonoyl)4-br-ph 2-cl-benzoate

Structural Information

Molecular Formula
C29H22BrClN2O4
SMILES
CC(C(=O)N/N=C/C1=C(C=CC(=C1)Br)OC(=O)C2=CC=CC=C2Cl)OC3=CC=C(C=C3)C4=CC=CC=C4
InChI
InChI=1S/C29H22BrClN2O4/c1-19(36-24-14-11-21(12-15-24)20-7-3-2-4-8-20)28(34)33-32-18-22-17-23(30)13-16-27(22)37-29(35)25-9-5-6-10-26(25)31/h2-19H,1H3,(H,33,34)/b32-18+
InChIKey
DGVMTYYECVPBTF-KCSSXMTESA-N
Compound name
[4-bromo-2-[(E)-[2-(4-phenylphenoxy)propanoylhydrazinylidene]methyl]phenyl] 2-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

576.04517 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 577.05245 223.4
[M+Na]+ 599.03439 229.4
[M+NH4]+ 594.07899 226.3
[M+K]+ 615.00833 226.0
[M-H]- 575.03789 229.9
[M+Na-2H]- 597.01984 230.6
[M]+ 576.04462 225.3
[M]- 576.04572 225.3
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.