CID 9654713

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

Structural Information

Molecular Formula
C24H15Cl3N2O4S
SMILES
C1=CC=C2C(=C1)C(=C(S2)C(=O)OC3=CC=C(C=C3)/C=N/NC(=O)COC4=C(C(=CC=C4)Cl)Cl)Cl
InChI
InChI=1S/C24H15Cl3N2O4S/c25-17-5-3-6-18(22(17)27)32-13-20(30)29-28-12-14-8-10-15(11-9-14)33-24(31)23-21(26)16-4-1-2-7-19(16)34-23/h1-12H,13H2,(H,29,30)/b28-12+
InChIKey
WSEQNRJVCHIIPG-KVSWJAHQSA-N
Compound name
[4-[(E)-[[2-(2,3-dichlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 3-chloro-1-benzothiophene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

531.9818 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 532.98908 221.5
[M+Na]+ 554.97102 237.0
[M+NH4]+ 550.01562 228.8
[M+K]+ 570.94496 226.4
[M-H]- 530.97452 227.9
[M+Na-2H]- 552.95647 229.7
[M]+ 531.98125 226.9
[M]- 531.98235 226.9
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.