CID 9688787

2-meo-4-(2-((4-methoxyanilino)(oxo)ac)carbohydrazonoyl)phenyl 3-phenylacrylate

Structural Information

Molecular Formula
C26H23N3O6
SMILES
COC1=CC=C(C=C1)NC(=O)C(=O)N/N=C/C2=CC(=C(C=C2)OC(=O)/C=C/C3=CC=CC=C3)OC
InChI
InChI=1S/C26H23N3O6/c1-33-21-12-10-20(11-13-21)28-25(31)26(32)29-27-17-19-8-14-22(23(16-19)34-2)35-24(30)15-9-18-6-4-3-5-7-18/h3-17H,1-2H3,(H,28,31)(H,29,32)/b15-9+,27-17+
InChIKey
JECHETKHFHDNGZ-LSVSHLMISA-N
Compound name
[2-methoxy-4-[(E)-[[2-(4-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

473.1587 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 474.16598 213.2
[M+Na]+ 496.14792 215.9
[M-H]- 472.15142 223.4
[M+NH4]+ 491.19252 219.5
[M+K]+ 512.12186 213.2
[M+H-H2O]+ 456.15596 201.1
[M+HCOO]- 518.15690 238.1
[M+CH3COO]- 532.17255 242.8
[M+Na-2H]- 494.13337 214.1
[M]+ 473.15815 216.9
[M]- 473.15925 216.9
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.