CID 51060743

Methyl 4-((2-(2-((3-methoxyanilino)(oxo)acetyl)carbohydrazonoyl)phenoxy)methyl)benzoate

Structural Information

Molecular Formula
C25H23N3O6
SMILES
COC1=CC=CC(=C1)NC(=O)C(=O)N/N=C/C2=CC=CC=C2OCC3=CC=C(C=C3)C(=O)OC
InChI
InChI=1S/C25H23N3O6/c1-32-21-8-5-7-20(14-21)27-23(29)24(30)28-26-15-19-6-3-4-9-22(19)34-16-17-10-12-18(13-11-17)25(31)33-2/h3-15H,16H2,1-2H3,(H,27,29)(H,28,30)/b26-15+
InChIKey
PRWUMHLZWTYXER-CVKSISIWSA-N
Compound name
methyl 4-[[2-[(E)-[[2-(3-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]methyl]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

461.1587 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 462.16598 209.5
[M+Na]+ 484.14792 212.2
[M-H]- 460.15142 219.8
[M+NH4]+ 479.19252 216.3
[M+K]+ 500.12186 210.3
[M+H-H2O]+ 444.15596 197.5
[M+HCOO]- 506.15690 234.5
[M+CH3COO]- 520.17255 241.2
[M+Na-2H]- 482.13337 210.9
[M]+ 461.15815 213.7
[M]- 461.15925 213.7
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.