CID 9626525

4-(2-((4-(benzyloxy)phenoxy)acetyl)carbohydrazonoyl)phenyl benzoate

Structural Information

Molecular Formula
C29H24N2O5
SMILES
C1=CC=C(C=C1)COC2=CC=C(C=C2)OCC(=O)N/N=C/C3=CC=C(C=C3)OC(=O)C4=CC=CC=C4
InChI
InChI=1S/C29H24N2O5/c32-28(21-35-26-17-15-25(16-18-26)34-20-23-7-3-1-4-8-23)31-30-19-22-11-13-27(14-12-22)36-29(33)24-9-5-2-6-10-24/h1-19H,20-21H2,(H,31,32)/b30-19+
InChIKey
ZKBWOYYSLOVNAC-NDZAJKAJSA-N
Compound name
[4-[(E)-[[2-(4-phenylmethoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

480.16852 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.17580 216.2
[M+Na]+ 503.15774 218.3
[M-H]- 479.16124 228.6
[M+NH4]+ 498.20234 221.5
[M+K]+ 519.13168 214.1
[M+H-H2O]+ 463.16578 202.7
[M+HCOO]- 525.16672 240.3
[M+CH3COO]- 539.18237 241.1
[M+Na-2H]- 501.14319 219.0
[M]+ 480.16797 218.9
[M]- 480.16907 218.9
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.