CID 51060490

4-(2-(((4-methylbenzoyl)amino)acetyl)carbohydrazonoyl)phenyl 4-chlorobenzoate

Structural Information

Molecular Formula
C24H20ClN3O4
SMILES
CC1=CC=C(C=C1)C(=O)NCC(=O)N/N=C/C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C24H20ClN3O4/c1-16-2-6-18(7-3-16)23(30)26-15-22(29)28-27-14-17-4-12-21(13-5-17)32-24(31)19-8-10-20(25)11-9-19/h2-14H,15H2,1H3,(H,26,30)(H,28,29)/b27-14+
InChIKey
DTIUMSLGJPJXLJ-MZJWZYIUSA-N
Compound name
[4-[(E)-[[2-[(4-methylbenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

449.11423 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.12151 207.2
[M+Na]+ 472.10345 219.7
[M+NH4]+ 467.14805 212.5
[M+K]+ 488.07739 211.9
[M-H]- 448.10695 213.6
[M+Na-2H]- 470.08890 216.0
[M]+ 449.11368 210.8
[M]- 449.11478 210.8
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.