CID 9611375

2-(2-(((1,1'-biphenyl)-4-yloxy)ac)carbohydrazonoyl)-4-br-ph 2-chlorobenzoate

Structural Information

Molecular Formula
C28H20BrClN2O4
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)OCC(=O)N/N=C/C3=C(C=CC(=C3)Br)OC(=O)C4=CC=CC=C4Cl
InChI
InChI=1S/C28H20BrClN2O4/c29-22-12-15-26(36-28(34)24-8-4-5-9-25(24)30)21(16-22)17-31-32-27(33)18-35-23-13-10-20(11-14-23)19-6-2-1-3-7-19/h1-17H,18H2,(H,32,33)/b31-17+
InChIKey
KXTXDIMYUQXOSE-KBVAKVRCSA-N
Compound name
[4-bromo-2-[(E)-[[2-(4-phenylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

562.0295 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 563.03678 224.8
[M+Na]+ 585.01872 232.1
[M-H]- 561.02222 239.3
[M+NH4]+ 580.06332 232.7
[M+K]+ 600.99266 219.2
[M+H-H2O]+ 545.02676 219.2
[M+HCOO]- 607.02770 241.9
[M+CH3COO]- 621.04335 247.4
[M+Na-2H]- 583.00417 226.5
[M]+ 562.02895 247.4
[M]- 562.03005 247.4
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.