CID 9609566

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

Structural Information

Molecular Formula
C29H24N2O4
SMILES
CC(C(=O)N/N=C/C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2)OC3=CC=C(C=C3)C4=CC=CC=C4
InChI
InChI=1S/C29H24N2O4/c1-21(34-26-18-14-24(15-19-26)23-8-4-2-5-9-23)28(32)31-30-20-22-12-16-27(17-13-22)35-29(33)25-10-6-3-7-11-25/h2-21H,1H3,(H,31,32)/b30-20+
InChIKey
PVJLOHVSWXDOKV-TWKHWXDSSA-N
Compound name
[4-[(E)-[2-(4-phenylphenoxy)propanoylhydrazinylidene]methyl]phenyl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

464.1736 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.18088 215.0
[M+Na]+ 487.16282 229.4
[M+NH4]+ 482.20742 221.1
[M+K]+ 503.13676 220.3
[M-H]- 463.16632 224.0
[M+Na-2H]- 485.14827 227.1
[M]+ 464.17305 219.6
[M]- 464.17415 219.6
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.