CID 9639357

1-(2-decanoylcarbohydrazonoyl)-2-naphthyl 2,4-dichlorobenzoate

Structural Information

Molecular Formula
C28H30Cl2N2O3
SMILES
CCCCCCCCCC(=O)N/N=C/C1=C(C=CC2=CC=CC=C21)OC(=O)C3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C28H30Cl2N2O3/c1-2-3-4-5-6-7-8-13-27(33)32-31-19-24-22-12-10-9-11-20(22)14-17-26(24)35-28(34)23-16-15-21(29)18-25(23)30/h9-12,14-19H,2-8,13H2,1H3,(H,32,33)/b31-19+
InChIKey
OWUJXLCISJSIAE-ZCTHSVRISA-N
Compound name
[1-[(E)-(decanoylhydrazinylidene)methyl]naphthalen-2-yl] 2,4-dichlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

512.1633 Da
Monoisotopic Mass

9.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 513.17058 226.4
[M+Na]+ 535.15252 231.7
[M-H]- 511.15602 233.0
[M+NH4]+ 530.19712 235.2
[M+K]+ 551.12646 223.8
[M+H-H2O]+ 495.16056 217.2
[M+HCOO]- 557.16150 238.7
[M+CH3COO]- 571.17715 248.7
[M+Na-2H]- 533.13797 225.0
[M]+ 512.16275 235.6
[M]- 512.16385 235.6
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.