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 226.5
[M+Na]+ 617.94546 225.5
[M-H]- 593.94896 228.9
[M+NH4]+ 612.99006 230.0
[M+K]+ 633.91940 225.4
[M+H-H2O]+ 577.95350 213.5
[M+HCOO]- 639.95444 237.3
[M+CH3COO]- 653.97009 247.1
[M+Na-2H]- 615.93091 214.6
[M]+ 594.95569 229.2
[M]- 594.95679 229.2
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.