CID 9636329

5-(benzoyloxy)-2-(2-(2-((4-chlorobenzyl)oxy)benzoyl)carbohydrazonoyl)ph benzoate

Structural Information

Molecular Formula
C35H25ClN2O6
SMILES
C1=CC=C(C=C1)C(=O)OC2=CC(=C(C=C2)/C=N/NC(=O)C3=CC=CC=C3OCC4=CC=C(C=C4)Cl)OC(=O)C5=CC=CC=C5
InChI
InChI=1S/C35H25ClN2O6/c36-28-18-15-24(16-19-28)23-42-31-14-8-7-13-30(31)33(39)38-37-22-27-17-20-29(43-34(40)25-9-3-1-4-10-25)21-32(27)44-35(41)26-11-5-2-6-12-26/h1-22H,23H2,(H,38,39)/b37-22+
InChIKey
KXRIXXODIASADI-SEBMTOOBSA-N
Compound name
[3-benzoyloxy-4-[(E)-[[2-[(4-chlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

604.14014 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 605.14742 245.2
[M+Na]+ 627.12936 247.7
[M-H]- 603.13286 260.1
[M+NH4]+ 622.17396 245.8
[M+K]+ 643.10330 242.8
[M+H-H2O]+ 587.13740 230.6
[M+HCOO]- 649.13834 262.7
[M+CH3COO]- 663.15399 261.5
[M+Na-2H]- 625.11481 244.6
[M]+ 604.13959 250.6
[M]- 604.14069 250.6
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.