CID 9639012

4-(2-(((2-iodobenzoyl)amino)ac)carbohydrazonoyl)-2-methoxyphenyl 3-bromobenzoate

Structural Information

Molecular Formula
C24H19BrIN3O5
SMILES
COC1=C(C=CC(=C1)/C=N/NC(=O)CNC(=O)C2=CC=CC=C2I)OC(=O)C3=CC(=CC=C3)Br
InChI
InChI=1S/C24H19BrIN3O5/c1-33-21-11-15(9-10-20(21)34-24(32)16-5-4-6-17(25)12-16)13-28-29-22(30)14-27-23(31)18-7-2-3-8-19(18)26/h2-13H,14H2,1H3,(H,27,31)(H,29,30)/b28-13+
InChIKey
JQDATBZTHZLGGX-XODNFHPESA-N
Compound name
[4-[(E)-[[2-[(2-iodobenzoyl)amino]acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 3-bromobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

634.95526 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 635.96254 231.9
[M+Na]+ 657.94448 227.3
[M+NH4]+ 652.98908 229.1
[M+K]+ 673.91842 228.5
[M-H]- 633.94798 229.8
[M+Na-2H]- 655.92993 223.7
[M]+ 634.95471 228.3
[M]- 634.95581 228.3
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.