CID 9610084

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

Structural Information

Molecular Formula
C24H15Cl3N2O4S
SMILES
C1=CC=C(C(=C1)/C=N/NC(=O)COC2=C(C(=CC=C2)Cl)Cl)OC(=O)C3=C(C4=CC=CC=C4S3)Cl
InChI
InChI=1S/C24H15Cl3N2O4S/c25-16-8-5-10-18(22(16)27)32-13-20(30)29-28-12-14-6-1-3-9-17(14)33-24(31)23-21(26)15-7-2-4-11-19(15)34-23/h1-12H,13H2,(H,29,30)/b28-12+
InChIKey
JKMWLTBKTBAWEF-KVSWJAHQSA-N
Compound name
[2-[(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 220.1
[M+Na]+ 554.97102 229.7
[M-H]- 530.97452 231.2
[M+NH4]+ 550.01562 230.9
[M+K]+ 570.94496 222.9
[M+H-H2O]+ 514.97906 213.5
[M+HCOO]- 576.98000 227.3
[M+CH3COO]- 590.99565 228.8
[M+Na-2H]- 552.95647 219.0
[M]+ 531.98125 232.4
[M]- 531.98235 232.4
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.