CID 51060199

4-(2-(((1-bromo-2-naphthyl)oxy)acetyl)carbohydrazonoyl)-2-ethoxyphenyl 2,4-dichlorobenzoate

Structural Information

Molecular Formula
C28H21BrCl2N2O5
SMILES
CCOC1=C(C=CC(=C1)/C=N/NC(=O)COC2=C(C3=CC=CC=C3C=C2)Br)OC(=O)C4=C(C=C(C=C4)Cl)Cl
InChI
InChI=1S/C28H21BrCl2N2O5/c1-2-36-25-13-17(7-11-23(25)38-28(35)21-10-9-19(30)14-22(21)31)15-32-33-26(34)16-37-24-12-8-18-5-3-4-6-20(18)27(24)29/h3-15H,2,16H2,1H3,(H,33,34)/b32-15+
InChIKey
CRMPGSFBAVFUQJ-VWJSQJICSA-N
Compound name
[4-[(E)-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]hydrazinylidene]methyl]-2-ethoxyphenyl] 2,4-dichlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

614.0011 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 615.00838 231.0
[M+Na]+ 636.99032 240.4
[M-H]- 612.99382 243.3
[M+NH4]+ 632.03492 239.3
[M+K]+ 652.96426 227.6
[M+H-H2O]+ 596.99836 226.7
[M+HCOO]- 658.99930 242.2
[M+CH3COO]- 673.01495 256.3
[M+Na-2H]- 634.97577 232.0
[M]+ 614.00055 258.3
[M]- 614.00165 258.3
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.