CID 51060376

5-(benzoyloxy)-2-(2-(hydroxy(phenyl)acetyl)carbohydrazonoyl)phenyl benzoate

Structural Information

Molecular Formula
C29H22N2O6
SMILES
C1=CC=C(C=C1)C(C(=O)N/N=C/C2=C(C=C(C=C2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)O
InChI
InChI=1S/C29H22N2O6/c32-26(20-10-4-1-5-11-20)27(33)31-30-19-23-16-17-24(36-28(34)21-12-6-2-7-13-21)18-25(23)37-29(35)22-14-8-3-9-15-22/h1-19,26,32H,(H,31,33)/b30-19+
InChIKey
SMYIBBLKGCGOLU-NDZAJKAJSA-N
Compound name
[3-benzoyloxy-4-[(E)-[(2-hydroxy-2-phenylacetyl)hydrazinylidene]methyl]phenyl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

494.1478 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 495.15508 217.0
[M+Na]+ 517.13702 218.0
[M-H]- 493.14052 228.3
[M+NH4]+ 512.18162 220.7
[M+K]+ 533.11096 214.9
[M+H-H2O]+ 477.14506 204.2
[M+HCOO]- 539.14600 238.0
[M+CH3COO]- 553.16165 241.8
[M+Na-2H]- 515.12247 217.6
[M]+ 494.14725 217.5
[M]- 494.14835 217.5
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.