CID 9636725

3-(2-((4-methoxyanilino)(oxo)acetyl)carbohydrazonoyl)phenyl 4-chlorobenzoate

Structural Information

Molecular Formula
C23H18ClN3O5
SMILES
COC1=CC=C(C=C1)NC(=O)C(=O)N/N=C/C2=CC(=CC=C2)OC(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C23H18ClN3O5/c1-31-19-11-9-18(10-12-19)26-21(28)22(29)27-25-14-15-3-2-4-20(13-15)32-23(30)16-5-7-17(24)8-6-16/h2-14H,1H3,(H,26,28)(H,27,29)/b25-14+
InChIKey
OZDYZAMWQGODBD-AFUMVMLFSA-N
Compound name
[3-[(E)-[[2-(4-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-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 205.3
[M+Na]+ 474.08272 210.2
[M-H]- 450.08622 216.0
[M+NH4]+ 469.12732 213.8
[M+K]+ 490.05666 206.2
[M+H-H2O]+ 434.09076 195.0
[M+HCOO]- 496.09170 226.6
[M+CH3COO]- 510.10735 236.5
[M+Na-2H]- 472.06817 207.1
[M]+ 451.09295 210.4
[M]- 451.09405 210.4
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.