CID 9626582

4-(2-(2-((1,1'-biphenyl)-4-yloxy)propanoyl)carbohydrazonoyl)ph 4-chlorobenzoate

Structural Information

Molecular Formula
C29H23ClN2O4
SMILES
CC(C(=O)N/N=C/C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)Cl)OC3=CC=C(C=C3)C4=CC=CC=C4
InChI
InChI=1S/C29H23ClN2O4/c1-20(35-26-17-11-23(12-18-26)22-5-3-2-4-6-22)28(33)32-31-19-21-7-15-27(16-8-21)36-29(34)24-9-13-25(30)14-10-24/h2-20H,1H3,(H,32,33)/b31-19+
InChIKey
LWDGDAQSKCGQAC-ZCTHSVRISA-N
Compound name
[4-[(E)-[2-(4-phenylphenoxy)propanoylhydrazinylidene]methyl]phenyl] 4-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

498.13464 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 499.14192 221.8
[M+Na]+ 521.12386 237.4
[M+NH4]+ 516.16846 228.2
[M+K]+ 537.09780 227.5
[M-H]- 497.12736 230.9
[M+Na-2H]- 519.10931 233.6
[M]+ 498.13409 227.0
[M]- 498.13519 227.0
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.