CID 51060559

4-(2-((3-methoxyanilino)(oxo)acetyl)carbohydrazonoyl)phenyl 4-methylbenzoate

Structural Information

Molecular Formula
C24H21N3O5
SMILES
CC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)/C=N/NC(=O)C(=O)NC3=CC(=CC=C3)OC
InChI
InChI=1S/C24H21N3O5/c1-16-6-10-18(11-7-16)24(30)32-20-12-8-17(9-13-20)15-25-27-23(29)22(28)26-19-4-3-5-21(14-19)31-2/h3-15H,1-2H3,(H,26,28)(H,27,29)/b25-15+
InChIKey
ZKJBSQUQBZYZBB-MFKUBSTISA-N
Compound name
[4-[(E)-[[2-(3-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-methylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

431.14813 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.15541 203.7
[M+Na]+ 454.13735 214.9
[M+NH4]+ 449.18195 208.1
[M+K]+ 470.11129 208.6
[M-H]- 430.14085 209.5
[M+Na-2H]- 452.12280 212.1
[M]+ 431.14758 206.5
[M]- 431.14868 206.5
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.