CID 9639658

3-(2-(1-naphthylacetyl)carbohydrazonoyl)phenyl 4-chlorobenzoate

Structural Information

Molecular Formula
C26H19ClN2O3
SMILES
C1=CC=C2C(=C1)C=CC=C2CC(=O)N/N=C/C3=CC(=CC=C3)OC(=O)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C26H19ClN2O3/c27-22-13-11-20(12-14-22)26(31)32-23-9-3-5-18(15-23)17-28-29-25(30)16-21-8-4-7-19-6-1-2-10-24(19)21/h1-15,17H,16H2,(H,29,30)/b28-17+
InChIKey
WYGWDVLWTGPRAF-OGLMXYFKSA-N
Compound name
[3-[(E)-[(2-naphthalen-1-ylacetyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

442.10843 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.11571 206.1
[M+Na]+ 465.09765 212.1
[M-H]- 441.10115 217.0
[M+NH4]+ 460.14225 216.1
[M+K]+ 481.07159 205.3
[M+H-H2O]+ 425.10569 195.3
[M+HCOO]- 487.10663 225.2
[M+CH3COO]- 501.12228 215.0
[M+Na-2H]- 463.08310 209.7
[M]+ 442.10788 210.0
[M]- 442.10898 210.0
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.