CID 45054870

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

Structural Information

Molecular Formula
C28H19ClN2O5
SMILES
C1=CC=C(C=C1)C(=O)OC2=CC(=C(C=C2)/C=N/NC(=O)C3=CC=CC=C3Cl)OC(=O)C4=CC=CC=C4
InChI
InChI=1S/C28H19ClN2O5/c29-24-14-8-7-13-23(24)26(32)31-30-18-21-15-16-22(35-27(33)19-9-3-1-4-10-19)17-25(21)36-28(34)20-11-5-2-6-12-20/h1-18H,(H,31,32)/b30-18+
InChIKey
XSRLDDGVNCAXOP-UXHLAJHPSA-N
Compound name
[3-benzoyloxy-4-[(E)-[(2-chlorobenzoyl)hydrazinylidene]methyl]phenyl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

498.09824 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 499.10552 218.5
[M+Na]+ 521.08746 222.9
[M-H]- 497.09096 231.5
[M+NH4]+ 516.13206 224.4
[M+K]+ 537.06140 217.8
[M+H-H2O]+ 481.09550 206.4
[M+HCOO]- 543.09644 237.8
[M+CH3COO]- 557.11209 242.5
[M+Na-2H]- 519.07291 219.5
[M]+ 498.09769 223.1
[M]- 498.09879 223.1
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.