CID 9620763

4-(2-(4-butoxybenzoyl)carbohydrazonoyl)-2-methoxyphenyl 3-phenylacrylate

Structural Information

Molecular Formula
C28H28N2O5
SMILES
CCCCOC1=CC=C(C=C1)C(=O)N/N=C/C2=CC(=C(C=C2)OC(=O)/C=C/C3=CC=CC=C3)OC
InChI
InChI=1S/C28H28N2O5/c1-3-4-18-34-24-14-12-23(13-15-24)28(32)30-29-20-22-10-16-25(26(19-22)33-2)35-27(31)17-11-21-8-6-5-7-9-21/h5-17,19-20H,3-4,18H2,1-2H3,(H,30,32)/b17-11+,29-20+
InChIKey
CZZPCQBVQRELBG-OJVLKWHLSA-N
Compound name
[4-[(E)-[(4-butoxybenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] (E)-3-phenylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

472.19983 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 473.20711 217.7
[M+Na]+ 495.18905 229.7
[M+NH4]+ 490.23365 222.1
[M+K]+ 511.16299 221.3
[M-H]- 471.19255 223.4
[M+Na-2H]- 493.17450 225.7
[M]+ 472.19928 220.8
[M]- 472.20038 220.8
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.