CID 9554275

3,4-dimethoxy-alpha-(3,4-dimethoxyphenyl)benzenepropanoic acid (phenylmethylene)hydrazide

Structural Information

Molecular Formula
C26H28N2O5
SMILES
COC1=C(C=C(C=C1)CC(C2=CC(=C(C=C2)OC)OC)C(=O)N/N=C/C3=CC=CC=C3)OC
InChI
InChI=1S/C26H28N2O5/c1-30-22-12-10-19(15-24(22)32-3)14-21(20-11-13-23(31-2)25(16-20)33-4)26(29)28-27-17-18-8-6-5-7-9-18/h5-13,15-17,21H,14H2,1-4H3,(H,28,29)/b27-17+
InChIKey
RZTYNSNEJVAENN-WPWMEQJKSA-N
Compound name
N-[(E)-benzylideneamino]-2,3-bis(3,4-dimethoxyphenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

448.19983 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.20711 210.3
[M+Na]+ 471.18905 214.3
[M-H]- 447.19255 220.8
[M+NH4]+ 466.23365 218.5
[M+K]+ 487.16299 211.7
[M+H-H2O]+ 431.19709 198.5
[M+HCOO]- 493.19803 234.4
[M+CH3COO]- 507.21368 240.1
[M+Na-2H]- 469.17450 210.7
[M]+ 448.19928 216.8
[M]- 448.20038 216.8
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.