CID 9639556

4-(2-(4-(benzyloxy)benzoyl)carbohydrazonoyl)-2-ethoxyphenyl 4-methoxybenzoate

Structural Information

Molecular Formula
C31H28N2O6
SMILES
CCOC1=C(C=CC(=C1)/C=N/NC(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3)OC(=O)C4=CC=C(C=C4)OC
InChI
InChI=1S/C31H28N2O6/c1-3-37-29-19-23(9-18-28(29)39-31(35)25-12-14-26(36-2)15-13-25)20-32-33-30(34)24-10-16-27(17-11-24)38-21-22-7-5-4-6-8-22/h4-20H,3,21H2,1-2H3,(H,33,34)/b32-20+
InChIKey
UKRGFXWXAPQJFV-UZWMFBFFSA-N
Compound name
[2-ethoxy-4-[(E)-[(4-phenylmethoxybenzoyl)hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

524.19476 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 525.20204 228.6
[M+Na]+ 547.18398 231.2
[M-H]- 523.18748 241.3
[M+NH4]+ 542.22858 232.5
[M+K]+ 563.15792 227.9
[M+H-H2O]+ 507.19202 214.6
[M+HCOO]- 569.19296 252.0
[M+CH3COO]- 583.20861 251.5
[M+Na-2H]- 545.16943 229.0
[M]+ 524.19421 234.1
[M]- 524.19531 234.1
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.