CID 9636493

4-(2-(((2-iodobenzoyl)amino)acetyl)carbohydrazonoyl)phenyl 2,4-dichlorobenzoate

Structural Information

Molecular Formula
C23H16Cl2IN3O4
SMILES
C1=CC=C(C(=C1)C(=O)NCC(=O)N/N=C/C2=CC=C(C=C2)OC(=O)C3=C(C=C(C=C3)Cl)Cl)I
InChI
InChI=1S/C23H16Cl2IN3O4/c24-15-7-10-17(19(25)11-15)23(32)33-16-8-5-14(6-9-16)12-28-29-21(30)13-27-22(31)18-3-1-2-4-20(18)26/h1-12H,13H2,(H,27,31)(H,29,30)/b28-12+
InChIKey
KZGSBTIUHACPGD-KVSWJAHQSA-N
Compound name
[4-[(E)-[[2-[(2-iodobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

594.95624 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 595.96352 232.2
[M+Na]+ 617.94546 237.6
[M+NH4]+ 612.99006 233.3
[M+K]+ 633.91940 231.9
[M-H]- 593.94896 231.9
[M+Na-2H]- 615.93091 227.0
[M]+ 594.95569 232.2
[M]- 594.95679 232.2
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.