CID 9630715

4-(2-((4-ethylanilino)(oxo)acetyl)carbohydrazonoyl)phenyl 3-phenylacrylate

Structural Information

Molecular Formula
C26H23N3O4
SMILES
CCC1=CC=C(C=C1)NC(=O)C(=O)N/N=C/C2=CC=C(C=C2)OC(=O)/C=C/C3=CC=CC=C3
InChI
InChI=1S/C26H23N3O4/c1-2-19-8-13-22(14-9-19)28-25(31)26(32)29-27-18-21-10-15-23(16-11-21)33-24(30)17-12-20-6-4-3-5-7-20/h3-18H,2H2,1H3,(H,28,31)(H,29,32)/b17-12+,27-18+
InChIKey
HDHOSLABLZZTQR-KKKYSEFRSA-N
Compound name
[4-[(E)-[[2-(4-ethylanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

441.16885 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 442.17613 208.2
[M+Na]+ 464.15807 210.6
[M-H]- 440.16157 218.1
[M+NH4]+ 459.20267 215.8
[M+K]+ 480.13201 206.0
[M+H-H2O]+ 424.16611 196.5
[M+HCOO]- 486.16705 232.8
[M+CH3COO]- 500.18270 237.0
[M+Na-2H]- 462.14352 209.4
[M]+ 441.16830 208.8
[M]- 441.16940 208.8
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.