CID 9688683

4-(2-(4-((4-chlorobenzyl)oxy)benzoyl)carbohydrazonoyl)phenyl 4-bromobenzoate

Structural Information

Molecular Formula
C28H20BrClN2O4
SMILES
C1=CC(=CC=C1COC2=CC=C(C=C2)C(=O)N/N=C/C3=CC=C(C=C3)OC(=O)C4=CC=C(C=C4)Br)Cl
InChI
InChI=1S/C28H20BrClN2O4/c29-23-9-5-22(6-10-23)28(34)36-26-13-3-19(4-14-26)17-31-32-27(33)21-7-15-25(16-8-21)35-18-20-1-11-24(30)12-2-20/h1-17H,18H2,(H,32,33)/b31-17+
InChIKey
JUTJLLCBCLVMSB-KBVAKVRCSA-N
Compound name
[4-[(E)-[[4-[(4-chlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] 4-bromobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

562.0295 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 563.036776 224.8
[M+Na]+ 585.018718 232.1
[M-H]- 561.022224 239.3
[M+NH4]+ 580.063323 232.7
[M+K]+ 600.992658 219.2
[M+H-H2O]+ 545.026760 219.2
[M+HCOO]- 607.027701 241.9
[M+CH3COO]- 621.043351 247.4
[M+Na-2H]- 583.004166 226.5
[M]+ 562.02895142 247.4
[M]- 562.03004858 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.