CID 9687607

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

Structural Information

Molecular Formula
C26H19ClN2O4
SMILES
COC1=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/C26H19ClN2O4/c1-32-23-9-5-4-8-21(23)25(30)29-28-16-22-20-7-3-2-6-17(20)12-15-24(22)33-26(31)18-10-13-19(27)14-11-18/h2-16H,1H3,(H,29,30)/b28-16+
InChIKey
AVGOTKDAJCWDOS-LQKURTRISA-N
Compound name
[1-[(E)-[(2-methoxybenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 4-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

458.10333 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.11061 209.1
[M+Na]+ 481.09255 215.7
[M-H]- 457.09605 220.4
[M+NH4]+ 476.13715 218.7
[M+K]+ 497.06649 210.0
[M+H-H2O]+ 441.10059 198.2
[M+HCOO]- 503.10153 228.3
[M+CH3COO]- 517.11718 237.9
[M+Na-2H]- 479.07800 212.1
[M]+ 458.10278 214.8
[M]- 458.10388 214.8
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.