CID 51060451

881468-88-8

Structural Information

Molecular Formula
C29H24Cl2N2O6
SMILES
CC(C(=O)N/N=C/C1=C(C=CC2=CC=CC=C21)OC(=O)C3=CC(=C(C=C3)OC)OC)OC4=C(C=C(C=C4)Cl)Cl
InChI
InChI=1S/C29H24Cl2N2O6/c1-17(38-25-13-10-20(30)15-23(25)31)28(34)33-32-16-22-21-7-5-4-6-18(21)8-11-24(22)39-29(35)19-9-12-26(36-2)27(14-19)37-3/h4-17H,1-3H3,(H,33,34)/b32-16+
InChIKey
VHMQYFHBRHTKDR-KPGMTVGESA-N
Compound name
[1-[(E)-[2-(2,4-dichlorophenoxy)propanoylhydrazinylidene]methyl]naphthalen-2-yl] 3,4-dimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

566.10114 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 567.10842 230.8
[M+Na]+ 589.09036 237.3
[M-H]- 565.09386 241.7
[M+NH4]+ 584.13496 237.0
[M+K]+ 605.06430 233.2
[M+H-H2O]+ 549.09840 220.6
[M+HCOO]- 611.09934 243.5
[M+CH3COO]- 625.11499 257.4
[M+Na-2H]- 587.07581 230.0
[M]+ 566.10059 242.5
[M]- 566.10169 242.5
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.