CID 9688374

1-(2-(2-methylbenzoyl)carbohydrazonoyl)-2-naphthyl 4-chlorobenzoate

Structural Information

Molecular Formula
C26H19ClN2O3
SMILES
CC1=CC=CC=C1C(=O)N/N=C/C2=C(C=CC3=CC=CC=C32)OC(=O)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C26H19ClN2O3/c1-17-6-2-4-8-21(17)25(30)29-28-16-23-22-9-5-3-7-18(22)12-15-24(23)32-26(31)19-10-13-20(27)14-11-19/h2-16H,1H3,(H,29,30)/b28-16+
InChIKey
KIXMEWRWPUHYMH-LQKURTRISA-N
Compound name
[1-[(E)-[(2-methylbenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 4-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

442.10843 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.11571 206.7
[M+Na]+ 465.09765 213.6
[M-H]- 441.10115 218.0
[M+NH4]+ 460.14225 217.1
[M+K]+ 481.07159 207.0
[M+H-H2O]+ 425.10569 196.1
[M+HCOO]- 487.10663 225.8
[M+CH3COO]- 501.12228 235.8
[M+Na-2H]- 463.08310 209.5
[M]+ 442.10788 211.1
[M]- 442.10898 211.1
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.