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]+ 448.150316 205.1
[M+Na]+ 470.132258 208.3
[M-H]- 446.135764 215.7
[M+NH4]+ 465.176863 212.5
[M+K]+ 486.106198 206.6
[M+H-H2O]+ 430.140300 193.3
[M+HCOO]- 492.141241 230.5
[M+CH3COO]- 506.156891 238.3
[M+Na-2H]- 468.117706 207.0
[M]+ 447.14249142 209.0
[M]- 447.14358858 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.