CID 9678444

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

Structural Information

Molecular Formula
C32H22N2O5
SMILES
C1=CC=C(C=C1)C(=O)OC2=CC(=C(C=C2)/C=N/NC(=O)C3=CC=CC4=CC=CC=C43)OC(=O)C5=CC=CC=C5
InChI
InChI=1S/C32H22N2O5/c35-30(28-17-9-15-22-10-7-8-16-27(22)28)34-33-21-25-18-19-26(38-31(36)23-11-3-1-4-12-23)20-29(25)39-32(37)24-13-5-2-6-14-24/h1-21H,(H,34,35)/b33-21+
InChIKey
YPWLAOOLLXTLCZ-QNKGDIEWSA-N
Compound name
[3-benzoyloxy-4-[(E)-(naphthalene-1-carbonylhydrazinylidene)methyl]phenyl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

514.1529 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 515.16018 223.9
[M+Na]+ 537.14212 226.4
[M-H]- 513.14562 237.0
[M+NH4]+ 532.18672 228.4
[M+K]+ 553.11606 221.9
[M+H-H2O]+ 497.15016 210.1
[M+HCOO]- 559.15110 245.3
[M+CH3COO]- 573.16675 230.5
[M+Na-2H]- 535.12757 226.5
[M]+ 514.15235 225.1
[M]- 514.15345 225.1
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.