CID 9609545

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

Structural Information

Molecular Formula
C24H19BrClN3O5
SMILES
CC1=C(C=CC=C1Cl)NC(=O)C(=O)N/N=C/C2=CC(=C(C=C2)OC(=O)C3=CC(=CC=C3)Br)OC
InChI
InChI=1S/C24H19BrClN3O5/c1-14-18(26)7-4-8-19(14)28-22(30)23(31)29-27-13-15-9-10-20(21(11-15)33-2)34-24(32)16-5-3-6-17(25)12-16/h3-13H,1-2H3,(H,28,30)(H,29,31)/b27-13+
InChIKey
OMRSMMMVWKXVPD-UVHMKAGCSA-N
Compound name
[4-[(E)-[[2-(3-chloro-2-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 215.5
[M+Na]+ 566.00887 223.4
[M-H]- 542.01237 228.0
[M+NH4]+ 561.05347 224.6
[M+K]+ 581.98281 211.3
[M+H-H2O]+ 526.01691 210.5
[M+HCOO]- 588.01785 233.3
[M+CH3COO]- 602.03350 247.6
[M+Na-2H]- 563.99432 216.2
[M]+ 543.01910 239.1
[M]- 543.02020 239.1
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.