CID 19660908

2-methoxy-4-(2-((4-methoxyanilino)(oxo)acetyl)carbohydrazonoyl)phenyl benzoate

Structural Information

Molecular Formula
C24H21N3O6
SMILES
COC1=CC=C(C=C1)NC(=O)C(=O)N/N=C/C2=CC(=C(C=C2)OC(=O)C3=CC=CC=C3)OC
InChI
InChI=1S/C24H21N3O6/c1-31-19-11-9-18(10-12-19)26-22(28)23(29)27-25-15-16-8-13-20(21(14-16)32-2)33-24(30)17-6-4-3-5-7-17/h3-15H,1-2H3,(H,26,28)(H,27,29)/b25-15+
InChIKey
HRAIYPXEBXCFDD-MFKUBSTISA-N
Compound name
[2-methoxy-4-[(E)-[[2-(4-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

447.14304 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 448.15032 206.2
[M+Na]+ 470.13226 216.8
[M+NH4]+ 465.17686 210.0
[M+K]+ 486.10620 211.2
[M-H]- 446.13576 211.5
[M+Na-2H]- 468.11771 214.2
[M]+ 447.14249 208.7
[M]- 447.14359 208.7
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.