CID 9664613

4-(2-(anilino(oxo)acetyl)carbohydrazonoyl)phenyl 2,4-dichlorobenzoate

Structural Information

Molecular Formula
C22H15Cl2N3O4
SMILES
C1=CC=C(C=C1)NC(=O)C(=O)N/N=C/C2=CC=C(C=C2)OC(=O)C3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C22H15Cl2N3O4/c23-15-8-11-18(19(24)12-15)22(30)31-17-9-6-14(7-10-17)13-25-27-21(29)20(28)26-16-4-2-1-3-5-16/h1-13H,(H,26,28)(H,27,29)/b25-13+
InChIKey
ONFORIGPECVYIS-DHRITJCHSA-N
Compound name
[4-[(E)-[(2-anilino-2-oxoacetyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

455.04398 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 456.05126 204.4
[M+Na]+ 478.03320 210.6
[M-H]- 454.03670 214.6
[M+NH4]+ 473.07780 213.6
[M+K]+ 494.00714 204.8
[M+H-H2O]+ 438.04124 195.4
[M+HCOO]- 500.04218 221.0
[M+CH3COO]- 514.05783 235.0
[M+Na-2H]- 476.01865 205.9
[M]+ 455.04343 209.6
[M]- 455.04453 209.6
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.