CID 45055306

3-(2-(2-(1-naphthyloxy)propanoyl)carbohydrazonoyl)phenyl 2,4-dichlorobenzoate

Structural Information

Molecular Formula
C27H20Cl2N2O4
SMILES
CC(C(=O)N/N=C/C1=CC(=CC=C1)OC(=O)C2=C(C=C(C=C2)Cl)Cl)OC3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C27H20Cl2N2O4/c1-17(34-25-11-5-8-19-7-2-3-10-22(19)25)26(32)31-30-16-18-6-4-9-21(14-18)35-27(33)23-13-12-20(28)15-24(23)29/h2-17H,1H3,(H,31,32)/b30-16+
InChIKey
ZYLLEOIZIQZWIU-OKCVXOCRSA-N
Compound name
[3-[(E)-(2-naphthalen-1-yloxypropanoylhydrazinylidene)methyl]phenyl] 2,4-dichlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

506.08002 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 507.08730 218.4
[M+Na]+ 529.06924 234.4
[M+NH4]+ 524.11384 225.4
[M+K]+ 545.04318 224.3
[M-H]- 505.07274 225.8
[M+Na-2H]- 527.05469 227.8
[M]+ 506.07947 223.4
[M]- 506.08057 223.4
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.