CID 45055244

765286-19-9

Structural Information

Molecular Formula
C23H17Cl3N2O4
SMILES
CC(C(=O)N/N=C/C1=CC=CC=C1OC(=O)C2=CC=C(C=C2)Cl)OC3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C23H17Cl3N2O4/c1-14(31-21-11-10-18(25)12-19(21)26)22(29)28-27-13-16-4-2-3-5-20(16)32-23(30)15-6-8-17(24)9-7-15/h2-14H,1H3,(H,28,29)/b27-13+
InChIKey
UERXRTYPWHKFNY-UVHMKAGCSA-N
Compound name
[2-[(E)-[2-(2,4-dichlorophenoxy)propanoylhydrazinylidene]methyl]phenyl] 4-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

490.0254 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 491.03268 209.0
[M+Na]+ 513.01462 216.1
[M-H]- 489.01812 218.0
[M+NH4]+ 508.05922 217.7
[M+K]+ 528.98856 210.2
[M+H-H2O]+ 473.02266 201.0
[M+HCOO]- 535.02360 218.7
[M+CH3COO]- 549.03925 239.5
[M+Na-2H]- 511.00007 207.9
[M]+ 490.02485 217.1
[M]- 490.02595 217.1
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.