CID 9666855

5-(benzoyloxy)-2-(2-(1-naphthylacetyl)carbohydrazonoyl)phenyl benzoate

Structural Information

Molecular Formula
C33H24N2O5
SMILES
C1=CC=C(C=C1)C(=O)OC2=CC(=C(C=C2)/C=N/NC(=O)CC3=CC=CC4=CC=CC=C43)OC(=O)C5=CC=CC=C5
InChI
InChI=1S/C33H24N2O5/c36-31(20-26-16-9-15-23-10-7-8-17-29(23)26)35-34-22-27-18-19-28(39-32(37)24-11-3-1-4-12-24)21-30(27)40-33(38)25-13-5-2-6-14-25/h1-19,21-22H,20H2,(H,35,36)/b34-22+
InChIKey
JLNUUZIPFDYOBS-PPOKSSTKSA-N
Compound name
[3-benzoyloxy-4-[(E)-[(2-naphthalen-1-ylacetyl)hydrazinylidene]methyl]phenyl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

528.1685 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 529.17578 228.2
[M+Na]+ 551.15772 230.2
[M-H]- 527.16122 241.0
[M+NH4]+ 546.20232 232.1
[M+K]+ 567.13166 225.5
[M+H-H2O]+ 511.16576 214.1
[M+HCOO]- 573.16670 249.2
[M+CH3COO]- 587.18235 251.3
[M+Na-2H]- 549.14317 230.2
[M]+ 528.16795 229.6
[M]- 528.16905 229.6
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.