CID 51060654

4-bromo-2-(2-(((3,4-dichlorobenzoyl)amino)acetyl)carbohydrazonoyl)phenyl 4-methylbenzoate

Structural Information

Molecular Formula
C24H18BrCl2N3O4
SMILES
CC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)Br)/C=N/NC(=O)CNC(=O)C3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C24H18BrCl2N3O4/c1-14-2-4-15(5-3-14)24(33)34-21-9-7-18(25)10-17(21)12-29-30-22(31)13-28-23(32)16-6-8-19(26)20(27)11-16/h2-12H,13H2,1H3,(H,28,32)(H,30,31)/b29-12+
InChIKey
KMRIALHOOQTSLD-XKJRVUDJSA-N
Compound name
[4-bromo-2-[(E)-[[2-[(3,4-dichlorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 4-methylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

560.9858 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 561.99308 217.3
[M+Na]+ 583.97502 226.3
[M-H]- 559.97852 229.2
[M+NH4]+ 579.01962 226.6
[M+K]+ 599.94896 212.3
[M+H-H2O]+ 543.98306 213.5
[M+HCOO]- 605.98400 230.5
[M+CH3COO]- 619.99965 249.2
[M+Na-2H]- 581.96047 217.4
[M]+ 560.98525 241.3
[M]- 560.98635 241.3
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.