CID 51060300

1-(2-(2-(4-chlorophenoxy)propanoyl)carbohydrazonoyl)-2-naphthyl 3,4-dimethoxybenzoate

Structural Information

Molecular Formula
C29H25ClN2O6
SMILES
CC(C(=O)N/N=C/C1=C(C=CC2=CC=CC=C21)OC(=O)C3=CC(=C(C=C3)OC)OC)OC4=CC=C(C=C4)Cl
InChI
InChI=1S/C29H25ClN2O6/c1-18(37-22-12-10-21(30)11-13-22)28(33)32-31-17-24-23-7-5-4-6-19(23)8-14-25(24)38-29(34)20-9-15-26(35-2)27(16-20)36-3/h4-18H,1-3H3,(H,32,33)/b31-17+
InChIKey
JGVWURGZWSWBFS-KBVAKVRCSA-N
Compound name
[1-[(E)-[2-(4-chlorophenoxy)propanoylhydrazinylidene]methyl]naphthalen-2-yl] 3,4-dimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

532.14014 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 533.14742 226.4
[M+Na]+ 555.12936 240.8
[M+NH4]+ 550.17396 231.9
[M+K]+ 571.10330 232.5
[M-H]- 531.13286 233.1
[M+Na-2H]- 553.11481 234.6
[M]+ 532.13959 230.6
[M]- 532.14069 230.6
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.