CID 51060167

1-(2-(2-((1,1'-biphenyl)-4-yloxy)propanoyl)carbohydrazonoyl)-2-naphthyl 2,4-dichlorobenzoate

Structural Information

Molecular Formula
C33H24Cl2N2O4
SMILES
CC(C(=O)N/N=C/C1=C(C=CC2=CC=CC=C21)OC(=O)C3=C(C=C(C=C3)Cl)Cl)OC4=CC=C(C=C4)C5=CC=CC=C5
InChI
InChI=1S/C33H24Cl2N2O4/c1-21(40-26-15-11-23(12-16-26)22-7-3-2-4-8-22)32(38)37-36-20-29-27-10-6-5-9-24(27)13-18-31(29)41-33(39)28-17-14-25(34)19-30(28)35/h2-21H,1H3,(H,37,38)/b36-20+
InChIKey
KIQPFDOOLVKKSG-ZSNJKBEMSA-N
Compound name
[1-[(E)-[2-(4-phenylphenoxy)propanoylhydrazinylidene]methyl]naphthalen-2-yl] 2,4-dichlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

582.1113 Da
Monoisotopic Mass

8.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 583.11858 241.0
[M+Na]+ 605.10052 258.8
[M+NH4]+ 600.14512 248.1
[M+K]+ 621.07446 246.9
[M-H]- 581.10402 251.0
[M+Na-2H]- 603.08597 252.1
[M]+ 582.11075 247.2
[M]- 582.11185 247.2
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.