CID 9636471

5-(benzoyloxy)-2-(2-(phenylacetyl)carbohydrazonoyl)phenyl benzoate

Structural Information

Molecular Formula
C29H22N2O5
SMILES
C1=CC=C(C=C1)CC(=O)N/N=C/C2=C(C=C(C=C2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4
InChI
InChI=1S/C29H22N2O5/c32-27(18-21-10-4-1-5-11-21)31-30-20-24-16-17-25(35-28(33)22-12-6-2-7-13-22)19-26(24)36-29(34)23-14-8-3-9-15-23/h1-17,19-20H,18H2,(H,31,32)/b30-20+
InChIKey
NLQYJCYAJSEGIF-TWKHWXDSSA-N
Compound name
[3-benzoyloxy-4-[(E)-[(2-phenylacetyl)hydrazinylidene]methyl]phenyl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

478.15286 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 479.16014 215.9
[M+Na]+ 501.14208 218.0
[M-H]- 477.14558 228.4
[M+NH4]+ 496.18668 221.1
[M+K]+ 517.11602 213.9
[M+H-H2O]+ 461.15012 202.7
[M+HCOO]- 523.15106 239.1
[M+CH3COO]- 537.16671 240.7
[M+Na-2H]- 499.12753 217.5
[M]+ 478.15231 217.3
[M]- 478.15341 217.3
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.