CID 45055300

5(benzoyloxy)2-(2-(2-(2,4-dichlorophenoxy)propanoyl)carbohydrazonoyl)ph benzoate

Structural Information

Molecular Formula
C30H22Cl2N2O6
SMILES
CC(C(=O)N/N=C/C1=C(C=C(C=C1)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)OC4=C(C=C(C=C4)Cl)Cl
InChI
InChI=1S/C30H22Cl2N2O6/c1-19(38-26-15-13-23(31)16-25(26)32)28(35)34-33-18-22-12-14-24(39-29(36)20-8-4-2-5-9-20)17-27(22)40-30(37)21-10-6-3-7-11-21/h2-19H,1H3,(H,34,35)/b33-18+
InChIKey
INPFTAGLKLZCQL-DPNNOFEESA-N
Compound name
[3-benzoyloxy-4-[(E)-[2-(2,4-dichlorophenoxy)propanoylhydrazinylidene]methyl]phenyl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

576.0855 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 577.09278 232.3
[M+Na]+ 599.07472 236.7
[M-H]- 575.07822 244.8
[M+NH4]+ 594.11932 236.0
[M+K]+ 615.04866 232.2
[M+H-H2O]+ 559.08276 221.0
[M+HCOO]- 621.08370 245.5
[M+CH3COO]- 635.09935 255.5
[M+Na-2H]- 597.06017 230.6
[M]+ 576.08495 241.0
[M]- 576.08605 241.0
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.