CID 9682688

1-(2-(3,4-dichlorobenzoyl)carbohydrazonoyl)-2-naphthyl 2,4-dichlorobenzoate

Structural Information

Molecular Formula
C25H14Cl4N2O3
SMILES
C1=CC=C2C(=C1)C=CC(=C2/C=N/NC(=O)C3=CC(=C(C=C3)Cl)Cl)OC(=O)C4=C(C=C(C=C4)Cl)Cl
InChI
InChI=1S/C25H14Cl4N2O3/c26-16-7-8-18(21(28)12-16)25(33)34-23-10-6-14-3-1-2-4-17(14)19(23)13-30-31-24(32)15-5-9-20(27)22(29)11-15/h1-13H,(H,31,32)/b30-13+
InChIKey
YJUOQSSQGQCIDO-VVEOGCPPSA-N
Compound name
[1-[(E)-[(3,4-dichlorobenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 2,4-dichlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

529.9758 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 530.98308 216.9
[M+Na]+ 552.96502 226.0
[M-H]- 528.96852 224.8
[M+NH4]+ 548.00962 225.2
[M+K]+ 568.93896 219.1
[M+H-H2O]+ 512.97306 209.0
[M+HCOO]- 574.97400 220.6
[M+CH3COO]- 588.98965 224.0
[M+Na-2H]- 550.95047 216.0
[M]+ 529.97525 224.2
[M]- 529.97635 224.2
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.