CID 9627081

4-(2-((3-cl-4-methylanilino)(oxo)ac)carbohydrazonoyl)-2-meo-ph 3-bromobenzoate

Structural Information

Molecular Formula
C24H19BrClN3O5
SMILES
CC1=C(C=C(C=C1)NC(=O)C(=O)N/N=C/C2=CC(=C(C=C2)OC(=O)C3=CC(=CC=C3)Br)OC)Cl
InChI
InChI=1S/C24H19BrClN3O5/c1-14-6-8-18(12-19(14)26)28-22(30)23(31)29-27-13-15-7-9-20(21(10-15)33-2)34-24(32)16-4-3-5-17(25)11-16/h3-13H,1-2H3,(H,28,30)(H,29,31)/b27-13+
InChIKey
DHEHMCOBRYBPSB-UVHMKAGCSA-N
Compound name
[4-[(E)-[[2-(3-chloro-4-methylanilino)-2-oxoacetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 3-bromobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

543.01965 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 544.02693 213.0
[M+Na]+ 566.00887 216.2
[M+NH4]+ 561.05347 214.4
[M+K]+ 581.98281 215.3
[M-H]- 542.01237 216.8
[M+Na-2H]- 563.99432 217.1
[M]+ 543.01910 213.4
[M]- 543.02020 213.4
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.