CID 51060288

1-(2-(2-(2,4-di-cl-phenoxy)propanoyl)carbohydrazonoyl)-2-naphthyl 2-cl-benzoate

Structural Information

Molecular Formula
C27H19Cl3N2O4
SMILES
CC(C(=O)N/N=C/C1=C(C=CC2=CC=CC=C21)OC(=O)C3=CC=CC=C3Cl)OC4=C(C=C(C=C4)Cl)Cl
InChI
InChI=1S/C27H19Cl3N2O4/c1-16(35-25-13-11-18(28)14-23(25)30)26(33)32-31-15-21-19-7-3-2-6-17(19)10-12-24(21)36-27(34)20-8-4-5-9-22(20)29/h2-16H,1H3,(H,32,33)/b31-15+
InChIKey
VXGXUOVCKJRBTR-IBBHUPRXSA-N
Compound name
[1-[(E)-[2-(2,4-dichlorophenoxy)propanoylhydrazinylidene]methyl]naphthalen-2-yl] 2-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

540.041 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 541.04828 221.6
[M+Na]+ 563.03022 228.9
[M-H]- 539.03372 231.0
[M+NH4]+ 558.07482 229.1
[M+K]+ 579.00416 222.7
[M+H-H2O]+ 523.03826 212.7
[M+HCOO]- 585.03920 229.5
[M+CH3COO]- 599.05485 249.5
[M+Na-2H]- 561.01567 221.0
[M]+ 540.04045 230.4
[M]- 540.04155 230.4
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.