CID 45055317

5(benzoyloxy)2(2-(2-((1,1'-bi-ph)-4-yloxy)propanoyl)carbohydrazonoyl)ph benzoate

Structural Information

Molecular Formula
C36H28N2O6
SMILES
CC(C(=O)N/N=C/C1=C(C=C(C=C1)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)OC4=CC=C(C=C4)C5=CC=CC=C5
InChI
InChI=1S/C36H28N2O6/c1-25(42-31-20-17-27(18-21-31)26-11-5-2-6-12-26)34(39)38-37-24-30-19-22-32(43-35(40)28-13-7-3-8-14-28)23-33(30)44-36(41)29-15-9-4-10-16-29/h2-25H,1H3,(H,38,39)/b37-24+
InChIKey
WWGUXFLWRCBZFS-HWLOXFRGSA-N
Compound name
[3-benzoyloxy-4-[(E)-[2-(4-phenylphenoxy)propanoylhydrazinylidene]methyl]phenyl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

584.19476 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 585.20204 241.9
[M+Na]+ 607.18398 241.7
[M-H]- 583.18748 256.3
[M+NH4]+ 602.22858 241.8
[M+K]+ 623.15792 238.4
[M+H-H2O]+ 567.19202 226.6
[M+HCOO]- 629.19296 262.3
[M+CH3COO]- 643.20861 260.8
[M+Na-2H]- 605.16943 240.9
[M]+ 584.19421 243.4
[M]- 584.19531 243.4
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.