CID 9667438

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

Structural Information

Molecular Formula
C24H21N3O6
SMILES
COC1=CC=CC=C1NC(=O)C(=O)N/N=C/C2=CC(=C(C=C2)OC(=O)C3=CC=CC=C3)OC
InChI
InChI=1S/C24H21N3O6/c1-31-19-11-7-6-10-18(19)26-22(28)23(29)27-25-15-16-12-13-20(21(14-16)32-2)33-24(30)17-8-4-3-5-9-17/h3-15H,1-2H3,(H,26,28)(H,27,29)/b25-15+
InChIKey
HXZPKVXTQGARHB-MFKUBSTISA-N
Compound name
[2-methoxy-4-[(E)-[[2-(2-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 205.1
[M+Na]+ 470.13226 208.3
[M-H]- 446.13576 215.7
[M+NH4]+ 465.17686 212.5
[M+K]+ 486.10620 206.6
[M+H-H2O]+ 430.14030 193.3
[M+HCOO]- 492.14124 230.5
[M+CH3COO]- 506.15689 238.3
[M+Na-2H]- 468.11771 207.0
[M]+ 447.14249 209.0
[M]- 447.14359 209.0
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.