CID 51060375

4-(2-(2-((1,1'-biphenyl)-4-yloxy)propanoyl)carbohydrazonoyl)phenyl 3,4-dimethoxybenzoate

Structural Information

Molecular Formula
C31H28N2O6
SMILES
CC(C(=O)N/N=C/C1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)OC)OC)OC3=CC=C(C=C3)C4=CC=CC=C4
InChI
InChI=1S/C31H28N2O6/c1-21(38-26-16-11-24(12-17-26)23-7-5-4-6-8-23)30(34)33-32-20-22-9-14-27(15-10-22)39-31(35)25-13-18-28(36-2)29(19-25)37-3/h4-21H,1-3H3,(H,33,34)/b32-20+
InChIKey
UNSCSPLMVXLCAG-UZWMFBFFSA-N
Compound name
[4-[(E)-[2-(4-phenylphenoxy)propanoylhydrazinylidene]methyl]phenyl] 3,4-dimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

524.19476 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 525.20204 228.5
[M+Na]+ 547.18398 230.7
[M-H]- 523.18748 241.3
[M+NH4]+ 542.22858 232.3
[M+K]+ 563.15792 228.1
[M+H-H2O]+ 507.19202 214.7
[M+HCOO]- 569.19296 250.9
[M+CH3COO]- 583.20861 252.4
[M+Na-2H]- 545.16943 227.8
[M]+ 524.19421 233.4
[M]- 524.19531 233.4
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.