CID 51060393

4-(2-(((1-bromo-2-naphthyl)oxy)acetyl)carbohydrazonoyl)-2-methoxyphenyl 3,4-dichlorobenzoate

Structural Information

Molecular Formula
C27H19BrCl2N2O5
SMILES
COC1=C(C=CC(=C1)/C=N/NC(=O)COC2=C(C3=CC=CC=C3C=C2)Br)OC(=O)C4=CC(=C(C=C4)Cl)Cl
InChI
InChI=1S/C27H19BrCl2N2O5/c1-35-24-12-16(6-10-22(24)37-27(34)18-7-9-20(29)21(30)13-18)14-31-32-25(33)15-36-23-11-8-17-4-2-3-5-19(17)26(23)28/h2-14H,15H2,1H3,(H,32,33)/b31-14+
InChIKey
DRYIJPWDDNNKSY-XAZZYMPDSA-N
Compound name
[4-[(E)-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 3,4-dichlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

599.9854 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 600.99268 226.6
[M+Na]+ 622.97462 236.5
[M-H]- 598.97812 239.2
[M+NH4]+ 618.01922 235.6
[M+K]+ 638.94856 223.9
[M+H-H2O]+ 582.98266 222.6
[M+HCOO]- 644.98360 238.2
[M+CH3COO]- 658.99925 253.7
[M+Na-2H]- 620.96007 228.2
[M]+ 599.98485 253.8
[M]- 599.98595 253.8
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.