CID 9688549

4-(2-(anilino(oxo)acetyl)carbohydrazonoyl)-2-methoxyphenyl 2-chlorobenzoate

Structural Information

Molecular Formula
C23H18ClN3O5
SMILES
COC1=C(C=CC(=C1)/C=N/NC(=O)C(=O)NC2=CC=CC=C2)OC(=O)C3=CC=CC=C3Cl
InChI
InChI=1S/C23H18ClN3O5/c1-31-20-13-15(11-12-19(20)32-23(30)17-9-5-6-10-18(17)24)14-25-27-22(29)21(28)26-16-7-3-2-4-8-16/h2-14H,1H3,(H,26,28)(H,27,29)/b25-14+
InChIKey
LROZLTGHHLHANK-AFUMVMLFSA-N
Compound name
[4-[(E)-[(2-anilino-2-oxoacetyl)hydrazinylidene]methyl]-2-methoxyphenyl] 2-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

451.0935 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 452.10078 205.2
[M+Na]+ 474.08272 217.5
[M+NH4]+ 469.12732 210.2
[M+K]+ 490.05666 210.5
[M-H]- 450.08622 211.2
[M+Na-2H]- 472.06817 213.9
[M]+ 451.09295 208.6
[M]- 451.09405 208.6
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.