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]+ 499.02806 215.3
[M+Na]+ 521.01000 224.3
[M-H]- 497.01350 227.3
[M+NH4]+ 516.05460 226.9
[M+K]+ 536.98394 217.5
[M+H-H2O]+ 481.01804 207.7
[M+HCOO]- 543.01898 227.9
[M+CH3COO]- 557.03463 224.8
[M+Na-2H]- 518.99545 215.7
[M]+ 498.02023 226.8
[M]- 498.02133 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.