CID 9636347

5-(benzoyloxy)-2-(2-(oxo(4-toluidino)acetyl)carbohydrazonoyl)phenyl benzoate

Structural Information

Molecular Formula
C30H23N3O6
SMILES
CC1=CC=C(C=C1)NC(=O)C(=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/C30H23N3O6/c1-20-12-15-24(16-13-20)32-27(34)28(35)33-31-19-23-14-17-25(38-29(36)21-8-4-2-5-9-21)18-26(23)39-30(37)22-10-6-3-7-11-22/h2-19H,1H3,(H,32,34)(H,33,35)/b31-19+
InChIKey
GRCDWYNVJARENT-ZCTHSVRISA-N
Compound name
[3-benzoyloxy-4-[(E)-[[2-(4-methylanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

521.1587 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 522.16598 224.7
[M+Na]+ 544.14792 226.0
[M-H]- 520.15142 237.4
[M+NH4]+ 539.19252 228.0
[M+K]+ 560.12186 223.4
[M+H-H2O]+ 504.15596 211.3
[M+HCOO]- 566.15690 247.9
[M+CH3COO]- 580.17255 251.5
[M+Na-2H]- 542.13337 225.1
[M]+ 521.15815 226.2
[M]- 521.15925 226.2
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.