CID 9637973

3-(2-(2,4-di-ho-benzoyl)carbohydrazonoyl)ph 3-cl-1-benzothiophene-2-carboxylate

Structural Information

Molecular Formula
C23H15ClN2O5S
SMILES
C1=CC=C2C(=C1)C(=C(S2)C(=O)OC3=CC=CC(=C3)/C=N/NC(=O)C4=C(C=C(C=C4)O)O)Cl
InChI
InChI=1S/C23H15ClN2O5S/c24-20-17-6-1-2-7-19(17)32-21(20)23(30)31-15-5-3-4-13(10-15)12-25-26-22(29)16-9-8-14(27)11-18(16)28/h1-12,27-28H,(H,26,29)/b25-12+
InChIKey
YFCWMCSJVRAFEO-BRJLIKDPSA-N
Compound name
[3-[(E)-[(2,4-dihydroxybenzoyl)hydrazinylidene]methyl]phenyl] 3-chloro-1-benzothiophene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

466.03903 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 467.04631 206.6
[M+Na]+ 489.02825 220.3
[M+NH4]+ 484.07285 213.1
[M+K]+ 505.00219 212.7
[M-H]- 465.03175 212.6
[M+Na-2H]- 487.01370 214.6
[M]+ 466.03848 210.9
[M]- 466.03958 210.9
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.