CID 9631839

4-(2-(anilino(oxo)acetyl)carbohydrazonoyl)-2-methoxyphenyl 3-phenylacrylate

Structural Information

Molecular Formula
C25H21N3O5
SMILES
COC1=C(C=CC(=C1)/C=N/NC(=O)C(=O)NC2=CC=CC=C2)OC(=O)/C=C/C3=CC=CC=C3
InChI
InChI=1S/C25H21N3O5/c1-32-22-16-19(17-26-28-25(31)24(30)27-20-10-6-3-7-11-20)12-14-21(22)33-23(29)15-13-18-8-4-2-5-9-18/h2-17H,1H3,(H,27,30)(H,28,31)/b15-13+,26-17+
InChIKey
DCGSTBQGLPNWRR-AROWNJAOSA-N
Compound name
[4-[(E)-[(2-anilino-2-oxoacetyl)hydrazinylidene]methyl]-2-methoxyphenyl] (E)-3-phenylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

443.14813 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.15541 206.1
[M+Na]+ 466.13735 208.7
[M-H]- 442.14085 216.2
[M+NH4]+ 461.18195 213.6
[M+K]+ 482.11129 205.2
[M+H-H2O]+ 426.14539 194.4
[M+HCOO]- 488.14633 231.3
[M+CH3COO]- 502.16198 236.3
[M+Na-2H]- 464.12280 208.1
[M]+ 443.14758 207.8
[M]- 443.14868 207.8
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.