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 213.9
[M+Na]+ 487.16282 216.0
[M-H]- 463.16632 226.3
[M+NH4]+ 482.20742 219.9
[M+K]+ 503.13676 211.6
[M+H-H2O]+ 447.17086 200.9
[M+HCOO]- 509.17180 236.8
[M+CH3COO]- 523.18745 239.8
[M+Na-2H]- 485.14827 215.4
[M]+ 464.17305 214.8
[M]- 464.17415 214.8
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.