CID 9688706

2-meo-4-(2-((3-methoxyanilino)(oxo)ac)carbohydrazonoyl)phenyl 2-chlorobenzoate

Structural Information

Molecular Formula
C24H20ClN3O6
SMILES
COC1=CC=CC(=C1)NC(=O)C(=O)N/N=C/C2=CC(=C(C=C2)OC(=O)C3=CC=CC=C3Cl)OC
InChI
InChI=1S/C24H20ClN3O6/c1-32-17-7-5-6-16(13-17)27-22(29)23(30)28-26-14-15-10-11-20(21(12-15)33-2)34-24(31)18-8-3-4-9-19(18)25/h3-14H,1-2H3,(H,27,29)(H,28,30)/b26-14+
InChIKey
IHXIBYGPJCZZBN-VULFUBBASA-N
Compound name
[2-methoxy-4-[(E)-[[2-(3-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 2-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

481.10406 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 482.11134 212.1
[M+Na]+ 504.09328 217.1
[M-H]- 480.09678 223.0
[M+NH4]+ 499.13788 219.5
[M+K]+ 520.06722 214.0
[M+H-H2O]+ 464.10132 201.5
[M+HCOO]- 526.10226 233.2
[M+CH3COO]- 540.11791 243.0
[M+Na-2H]- 502.07873 212.9
[M]+ 481.10351 219.3
[M]- 481.10461 219.3
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.