CID 51060278

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

Structural Information

Molecular Formula
C31H28N2O5
SMILES
CCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)/C=N/NC(=O)C(C)OC3=CC=C(C=C3)C4=CC=CC=C4
InChI
InChI=1S/C31H28N2O5/c1-3-36-27-17-13-26(14-18-27)31(35)38-29-15-9-23(10-16-29)21-32-33-30(34)22(2)37-28-19-11-25(12-20-28)24-7-5-4-6-8-24/h4-22H,3H2,1-2H3,(H,33,34)/b32-21+
InChIKey
QGIOLMQYSWPDKE-RUMWWMSVSA-N
Compound name
[4-[(E)-[2-(4-phenylphenoxy)propanoylhydrazinylidene]methyl]phenyl] 4-ethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

508.19983 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 509.20711 226.3
[M+Na]+ 531.18905 240.1
[M+NH4]+ 526.23365 231.5
[M+K]+ 547.16299 231.4
[M-H]- 507.19255 234.8
[M+Na-2H]- 529.17450 237.2
[M]+ 508.19928 230.6
[M]- 508.20038 230.6
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.