CID 45055252

1(2-(2-(2,4-dichlorophenoxy)propanoyl)carbohydrazonoyl)2-naphthyl 4-meo-benzoate

Structural Information

Molecular Formula
C28H22Cl2N2O5
SMILES
CC(C(=O)N/N=C/C1=C(C=CC2=CC=CC=C21)OC(=O)C3=CC=C(C=C3)OC)OC4=C(C=C(C=C4)Cl)Cl
InChI
InChI=1S/C28H22Cl2N2O5/c1-17(36-26-14-10-20(29)15-24(26)30)27(33)32-31-16-23-22-6-4-3-5-18(22)9-13-25(23)37-28(34)19-7-11-21(35-2)12-8-19/h3-17H,1-2H3,(H,32,33)/b31-16+
InChIKey
JTOSCCYTJRWPMD-WCMJOSRZSA-N
Compound name
[1-[(E)-[2-(2,4-dichlorophenoxy)propanoylhydrazinylidene]methyl]naphthalen-2-yl] 4-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

536.0906 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 537.09788 224.4
[M+Na]+ 559.07982 230.8
[M-H]- 535.08332 235.1
[M+NH4]+ 554.12442 231.6
[M+K]+ 575.05376 225.7
[M+H-H2O]+ 519.08786 214.3
[M+HCOO]- 581.08880 237.3
[M+CH3COO]- 595.10445 251.2
[M+Na-2H]- 557.06527 224.4
[M]+ 536.09005 234.0
[M]- 536.09115 234.0
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.