CID 9637661

4-bromo-2-(2-(hydroxy(phenyl)acetyl)carbohydrazonoyl)phenyl 2-chlorobenzoate

Structural Information

Molecular Formula
C22H16BrClN2O4
SMILES
C1=CC=C(C=C1)C(C(=O)N/N=C/C2=C(C=CC(=C2)Br)OC(=O)C3=CC=CC=C3Cl)O
InChI
InChI=1S/C22H16BrClN2O4/c23-16-10-11-19(30-22(29)17-8-4-5-9-18(17)24)15(12-16)13-25-26-21(28)20(27)14-6-2-1-3-7-14/h1-13,20,27H,(H,26,28)/b25-13+
InChIKey
CKVZJEGGFCYGHC-DHRITJCHSA-N
Compound name
[4-bromo-2-[(E)-[(2-hydroxy-2-phenylacetyl)hydrazinylidene]methyl]phenyl] 2-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

485.9982 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 487.00548 202.1
[M+Na]+ 508.98742 209.9
[M-H]- 484.99092 213.2
[M+NH4]+ 504.03202 212.8
[M+K]+ 524.96136 196.8
[M+H-H2O]+ 468.99546 198.5
[M+HCOO]- 530.99640 218.2
[M+CH3COO]- 545.01205 232.5
[M+Na-2H]- 506.97287 204.1
[M]+ 485.99765 223.1
[M]- 485.99875 223.1
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.