CID 9627136

4-bromo-2-(2-(oxo(4-toluidino)acetyl)carbohydrazonoyl)phenyl 4-chlorobenzoate

Structural Information

Molecular Formula
C23H17BrClN3O4
SMILES
CC1=CC=C(C=C1)NC(=O)C(=O)N/N=C/C2=C(C=CC(=C2)Br)OC(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C23H17BrClN3O4/c1-14-2-9-19(10-3-14)27-21(29)22(30)28-26-13-16-12-17(24)6-11-20(16)32-23(31)15-4-7-18(25)8-5-15/h2-13H,1H3,(H,27,29)(H,28,30)/b26-13+
InChIKey
NNFWIERVEKIGAK-LGJNPRDNSA-N
Compound name
[4-bromo-2-[(E)-[[2-(4-methylanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

513.0091 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 514.01638 206.0
[M+Na]+ 535.99832 209.6
[M+NH4]+ 531.04292 208.1
[M+K]+ 551.97226 208.2
[M-H]- 512.00182 210.2
[M+Na-2H]- 533.98377 210.9
[M]+ 513.00855 206.6
[M]- 513.00965 206.6
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.