CID 9647823

4-(2-(2-(4-(benzyloxy)phenoxy)propanoyl)carbohydrazonoyl)-2-meo-phenyl benzoate

Structural Information

Molecular Formula
C31H28N2O6
SMILES
CC(C(=O)N/N=C/C1=CC(=C(C=C1)OC(=O)C2=CC=CC=C2)OC)OC3=CC=C(C=C3)OCC4=CC=CC=C4
InChI
InChI=1S/C31H28N2O6/c1-22(38-27-16-14-26(15-17-27)37-21-23-9-5-3-6-10-23)30(34)33-32-20-24-13-18-28(29(19-24)36-2)39-31(35)25-11-7-4-8-12-25/h3-20,22H,21H2,1-2H3,(H,33,34)/b32-20+
InChIKey
UCJWQJZFTLAOCL-UZWMFBFFSA-N
Compound name
[2-methoxy-4-[(E)-[2-(4-phenylmethoxyphenoxy)propanoylhydrazinylidene]methyl]phenyl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

524.19476 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 525.20204 227.8
[M+Na]+ 547.18398 229.1
[M-H]- 523.18748 240.2
[M+NH4]+ 542.22858 231.3
[M+K]+ 563.15792 226.4
[M+H-H2O]+ 507.19202 213.9
[M+HCOO]- 569.19296 250.2
[M+CH3COO]- 583.20861 251.0
[M+Na-2H]- 545.16943 227.9
[M]+ 524.19421 232.3
[M]- 524.19531 232.3
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.