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 228.7
[M+Na]+ 599.03439 235.2
[M-H]- 575.03789 243.1
[M+NH4]+ 594.07899 235.9
[M+K]+ 615.00833 222.7
[M+H-H2O]+ 559.04243 223.1
[M+HCOO]- 621.04337 244.6
[M+CH3COO]- 635.05902 250.8
[M+Na-2H]- 597.01984 229.0
[M]+ 576.04462 251.1
[M]- 576.04572 251.1
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.