CID 9634533

3-(2-(1-naphthoyl)carbohydrazonoyl)phenyl 2,4-dichlorobenzoate

Structural Information

Molecular Formula
C25H16Cl2N2O3
SMILES
C1=CC=C2C(=C1)C=CC=C2C(=O)N/N=C/C3=CC(=CC=C3)OC(=O)C4=C(C=C(C=C4)Cl)Cl
InChI
InChI=1S/C25H16Cl2N2O3/c26-18-11-12-22(23(27)14-18)25(31)32-19-8-3-5-16(13-19)15-28-29-24(30)21-10-4-7-17-6-1-2-9-20(17)21/h1-15H,(H,29,30)/b28-15+
InChIKey
LEIAOVZPSBZYEZ-RWPZCVJISA-N
Compound name
[3-[(E)-(naphthalene-1-carbonylhydrazinylidene)methyl]phenyl] 2,4-dichlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

462.0538 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.06108 207.7
[M+Na]+ 485.04302 215.6
[M-H]- 461.04652 218.4
[M+NH4]+ 480.08762 218.0
[M+K]+ 501.01696 208.3
[M+H-H2O]+ 445.05106 198.1
[M+HCOO]- 507.05200 222.2
[M+CH3COO]- 521.06765 216.7
[M+Na-2H]- 483.02847 210.4
[M]+ 462.05325 213.7
[M]- 462.05435 213.7
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.