CID 9639287

1-(2-(hydroxy(phenyl)acetyl)carbohydrazonoyl)-2-naphthyl 4-chlorobenzoate

Structural Information

Molecular Formula
C26H19ClN2O4
SMILES
C1=CC=C(C=C1)C(C(=O)N/N=C/C2=C(C=CC3=CC=CC=C32)OC(=O)C4=CC=C(C=C4)Cl)O
InChI
InChI=1S/C26H19ClN2O4/c27-20-13-10-19(11-14-20)26(32)33-23-15-12-17-6-4-5-9-21(17)22(23)16-28-29-25(31)24(30)18-7-2-1-3-8-18/h1-16,24,30H,(H,29,31)/b28-16+
InChIKey
ZBSOIBOLPGHHAV-LQKURTRISA-N
Compound name
[1-[(E)-[(2-hydroxy-2-phenylacetyl)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

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.11061 207.1
[M+Na]+ 481.09255 212.1
[M-H]- 457.09605 216.9
[M+NH4]+ 476.13715 215.7
[M+K]+ 497.06649 206.2
[M+H-H2O]+ 441.10059 196.9
[M+HCOO]- 503.10153 224.0
[M+CH3COO]- 517.11718 235.4
[M+Na-2H]- 479.07800 209.7
[M]+ 458.10278 210.3
[M]- 458.10388 210.3
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.