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 238.6
[M+Na]+ 605.10052 244.0
[M-H]- 581.10402 251.2
[M+NH4]+ 600.14512 243.1
[M+K]+ 621.07446 237.3
[M+H-H2O]+ 565.10856 226.4
[M+HCOO]- 627.10950 250.4
[M+CH3COO]- 641.12515 244.7
[M+Na-2H]- 603.08597 238.1
[M]+ 582.11075 245.7
[M]- 582.11185 245.7
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.