CID 9663425

4-(2-((2,3-dichlorophenoxy)ac)carbohydrazonoyl)-2-methoxyphenyl 3-bromobenzoate

Structural Information

Molecular Formula
C23H17BrCl2N2O5
SMILES
COC1=C(C=CC(=C1)/C=N/NC(=O)COC2=C(C(=CC=C2)Cl)Cl)OC(=O)C3=CC(=CC=C3)Br
InChI
InChI=1S/C23H17BrCl2N2O5/c1-31-20-10-14(8-9-18(20)33-23(30)15-4-2-5-16(24)11-15)12-27-28-21(29)13-32-19-7-3-6-17(25)22(19)26/h2-12H,13H2,1H3,(H,28,29)/b27-12+
InChIKey
UNOSFXJZGMDKFM-KKMKTNMSSA-N
Compound name
[4-[(E)-[[2-(2,3-dichlorophenoxy)acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 3-bromobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

549.9698 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 550.97708 211.9
[M+Na]+ 572.95902 222.1
[M-H]- 548.96252 224.2
[M+NH4]+ 568.00362 222.1
[M+K]+ 588.93296 209.1
[M+H-H2O]+ 532.96706 208.5
[M+HCOO]- 594.96800 225.4
[M+CH3COO]- 608.98365 244.0
[M+Na-2H]- 570.94447 213.4
[M]+ 549.96925 238.8
[M]- 549.97035 238.8
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.