CID 9605759

4-((e)-{[(2,3-dichlorophenoxy)acetyl]hydrazono}methyl)-2-methoxyphenyl 3-chloro-1-benzothiophene-2-carboxylate

Structural Information

Molecular Formula
C25H17Cl3N2O5S
SMILES
COC1=C(C=CC(=C1)/C=N/NC(=O)COC2=C(C(=CC=C2)Cl)Cl)OC(=O)C3=C(C4=CC=CC=C4S3)Cl
InChI
InChI=1S/C25H17Cl3N2O5S/c1-33-19-11-14(12-29-30-21(31)13-34-18-7-4-6-16(26)23(18)28)9-10-17(19)35-25(32)24-22(27)15-5-2-3-8-20(15)36-24/h2-12H,13H2,1H3,(H,30,31)/b29-12+
InChIKey
AHZSTKVTMPPNDL-XKJRVUDJSA-N
Compound name
[4-[(E)-[[2-(2,3-dichlorophenoxy)acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 3-chloro-1-benzothiophene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

561.9924 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 562.99968 228.3
[M+Na]+ 584.98162 243.5
[M+NH4]+ 580.02622 235.0
[M+K]+ 600.95556 233.3
[M-H]- 560.98512 234.3
[M+Na-2H]- 582.96707 235.7
[M]+ 561.99185 233.5
[M]- 561.99295 233.5
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.