CID 9606526

2-(2-((2-cl-phenoxy)ac)carbohydrazonoyl)ph 3-cl-1-benzothiophene-2-carboxylate

Structural Information

Molecular Formula
C24H16Cl2N2O4S
SMILES
C1=CC=C(C(=C1)/C=N/NC(=O)COC2=CC=CC=C2Cl)OC(=O)C3=C(C4=CC=CC=C4S3)Cl
InChI
InChI=1S/C24H16Cl2N2O4S/c25-17-9-3-5-11-19(17)31-14-21(29)28-27-13-15-7-1-4-10-18(15)32-24(30)23-22(26)16-8-2-6-12-20(16)33-23/h1-13H,14H2,(H,28,29)/b27-13+
InChIKey
QXWMGRQEEIMIQO-UVHMKAGCSA-N
Compound name
[2-[(E)-[[2-(2-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 3-chloro-1-benzothiophene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

498.02078 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 499.028056 215.3
[M+Na]+ 521.009998 224.3
[M-H]- 497.013504 227.3
[M+NH4]+ 516.054603 226.9
[M+K]+ 536.983938 217.5
[M+H-H2O]+ 481.018040 207.7
[M+HCOO]- 543.018981 227.9
[M+CH3COO]- 557.034631 224.8
[M+Na-2H]- 518.995446 215.7
[M]+ 498.02023142 226.8
[M]- 498.02132858 226.8
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.