CID 9632004

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

Structural Information

Molecular Formula
C24H15Cl2N3O3
SMILES
C1=CC=C2C(=C1)C=CC(=C2/C=N/NC(=O)C3=CN=CC=C3)OC(=O)C4=C(C=C(C=C4)Cl)Cl
InChI
InChI=1S/C24H15Cl2N3O3/c25-17-8-9-19(21(26)12-17)24(31)32-22-10-7-15-4-1-2-6-18(15)20(22)14-28-29-23(30)16-5-3-11-27-13-16/h1-14H,(H,29,30)/b28-14+
InChIKey
ZWKDZBISTVWIDF-CCVNUDIWSA-N
Compound name
[1-[(E)-(pyridine-3-carbonylhydrazinylidene)methyl]naphthalen-2-yl] 2,4-dichlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

463.04904 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 464.05632 206.3
[M+Na]+ 486.03826 214.4
[M-H]- 462.04176 215.7
[M+NH4]+ 481.08286 215.1
[M+K]+ 502.01220 207.2
[M+H-H2O]+ 446.04630 195.7
[M+HCOO]- 508.04724 219.7
[M+CH3COO]- 522.06289 214.9
[M+Na-2H]- 484.02371 209.8
[M]+ 463.04849 212.2
[M]- 463.04959 212.2
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.