CID 9688050

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

Structural Information

Molecular Formula
C29H22N2O5
SMILES
CC1=CC=CC=C1C(=O)N/N=C/C2=C(C=C(C=C2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4
InChI
InChI=1S/C29H22N2O5/c1-20-10-8-9-15-25(20)27(32)31-30-19-23-16-17-24(35-28(33)21-11-4-2-5-12-21)18-26(23)36-29(34)22-13-6-3-7-14-22/h2-19H,1H3,(H,31,32)/b30-19+
InChIKey
UCUQNCYFZZLLOC-NDZAJKAJSA-N
Compound name
[3-benzoyloxy-4-[(E)-[(2-methylbenzoyl)hydrazinylidene]methyl]phenyl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

478.15286 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 479.16014 216.4
[M+Na]+ 501.14208 219.4
[M-H]- 477.14558 229.4
[M+NH4]+ 496.18668 222.0
[M+K]+ 517.11602 215.5
[M+H-H2O]+ 461.15012 203.4
[M+HCOO]- 523.15106 239.7
[M+CH3COO]- 537.16671 242.1
[M+Na-2H]- 499.12753 217.3
[M]+ 478.15231 218.3
[M]- 478.15341 218.3
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.