CID 9638995

5-(benzoyloxy)-2-(2-(4-((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=C(C=C3)OCC4=CC=C(C=C4)Cl)OC(=O)C5=CC=CC=C5
InChI
InChI=1S/C35H25ClN2O6/c36-29-16-11-24(12-17-29)23-42-30-18-13-25(14-19-30)33(39)38-37-22-28-15-20-31(43-34(40)26-7-3-1-4-8-26)21-32(28)44-35(41)27-9-5-2-6-10-27/h1-22H,23H2,(H,38,39)/b37-22+
InChIKey
DBDAWDPRDHGMND-SEBMTOOBSA-N
Compound name
[3-benzoyloxy-4-[(E)-[[4-[(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 247.0
[M+Na]+ 627.12936 263.3
[M+NH4]+ 622.17396 252.0
[M+K]+ 643.10330 252.9
[M-H]- 603.13286 257.5
[M+Na-2H]- 625.11481 259.7
[M]+ 604.13959 252.6
[M]- 604.14069 252.6
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.