CID 51060408

4-br--2-(2-(2-(4-bromophenoxy)propanoyl)carbohydrazonoyl)phenyl 2-chlorobenzoate

Structural Information

Molecular Formula
C23H17Br2ClN2O4
SMILES
CC(C(=O)N/N=C/C1=C(C=CC(=C1)Br)OC(=O)C2=CC=CC=C2Cl)OC3=CC=C(C=C3)Br
InChI
InChI=1S/C23H17Br2ClN2O4/c1-14(31-18-9-6-16(24)7-10-18)22(29)28-27-13-15-12-17(25)8-11-21(15)32-23(30)19-4-2-3-5-20(19)26/h2-14H,1H3,(H,28,29)/b27-13+
InChIKey
VOHJONIDSVHIIL-UVHMKAGCSA-N
Compound name
[4-bromo-2-[(E)-[2-(4-bromophenoxy)propanoylhydrazinylidene]methyl]phenyl] 2-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

577.9244 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 578.93168 203.6
[M+Na]+ 600.91362 210.5
[M-H]- 576.91712 214.7
[M+NH4]+ 595.95822 213.3
[M+K]+ 616.88756 194.6
[M+H-H2O]+ 560.92166 207.7
[M+HCOO]- 622.92260 215.4
[M+CH3COO]- 636.93825 245.3
[M+Na-2H]- 598.89907 204.5
[M]+ 577.92385 240.7
[M]- 577.92495 240.7
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.