CID 9663346

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

Structural Information

Molecular Formula
C24H20ClN3O5
SMILES
CCOC1=C(C=CC(=C1)/C=N/NC(=O)C(=O)NC2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C24H20ClN3O5/c1-2-32-21-14-16(8-13-20(21)33-24(31)17-9-11-18(25)12-10-17)15-26-28-23(30)22(29)27-19-6-4-3-5-7-19/h3-15H,2H2,1H3,(H,27,29)(H,28,30)/b26-15+
InChIKey
CMIHTCIYFMDZQN-CVKSISIWSA-N
Compound name
[4-[(E)-[(2-anilino-2-oxoacetyl)hydrazinylidene]methyl]-2-ethoxyphenyl] 4-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

465.10916 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 466.11644 209.7
[M+Na]+ 488.09838 214.2
[M-H]- 464.10188 220.2
[M+NH4]+ 483.14298 217.7
[M+K]+ 504.07232 210.0
[M+H-H2O]+ 448.10642 199.2
[M+HCOO]- 510.10736 230.7
[M+CH3COO]- 524.12301 239.4
[M+Na-2H]- 486.08383 211.0
[M]+ 465.10861 215.1
[M]- 465.10971 215.1
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.