CID 9631840

2-ethoxy-4-(2-(4-((4-methylbenzyl)oxy)benzoyl)carbohydrazonoyl)phenyl benzoate

Structural Information

Molecular Formula
C31H28N2O5
SMILES
CCOC1=C(C=CC(=C1)/C=N/NC(=O)C2=CC=C(C=C2)OCC3=CC=C(C=C3)C)OC(=O)C4=CC=CC=C4
InChI
InChI=1S/C31H28N2O5/c1-3-36-29-19-24(13-18-28(29)38-31(35)26-7-5-4-6-8-26)20-32-33-30(34)25-14-16-27(17-15-25)37-21-23-11-9-22(2)10-12-23/h4-20H,3,21H2,1-2H3,(H,33,34)/b32-20+
InChIKey
JFILFLDUUYBGPP-UZWMFBFFSA-N
Compound name
[2-ethoxy-4-[(E)-[[4-[(4-methylphenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

508.19983 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 509.20711 227.5
[M+Na]+ 531.18905 242.1
[M+NH4]+ 526.23365 232.8
[M+K]+ 547.16299 232.6
[M-H]- 507.19255 236.3
[M+Na-2H]- 529.17450 238.5
[M]+ 508.19928 232.1
[M]- 508.20038 232.1
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.