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 231.8
[M+Na]+ 657.94448 230.4
[M-H]- 633.94798 236.1
[M+NH4]+ 652.98908 235.4
[M+K]+ 673.91842 225.3
[M+H-H2O]+ 617.95252 221.5
[M+HCOO]- 679.95346 247.9
[M+CH3COO]- 693.96911 250.6
[M+Na-2H]- 655.92993 221.0
[M]+ 634.95471 248.1
[M]- 634.95581 248.1
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.