CID 9669729

3-(2-benzoylcarbohydrazonoyl)phenyl 4-chlorobenzoate

Structural Information

Molecular Formula

C₂₁H₁₅ClN₂O₃

SMILES

C1=CC=C(C=C1)C(=O)N/N=C/C2=CC(=CC=C2)OC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H15ClN2O3/c22-18-11-9-17(10-12-18)21(26)27-19-8-4-5-15(13-19)14-23-24-20(25)16-6-2-1-3-7-16/h1-14H,(H,24,25)/b23-14+

InChIKey

SQYLROSHXBHOSF-OEAKJJBVSA-N

Compound name

[3-[(E)-(benzoylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 378.07712 Da
Monoisotopic Mass: 4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	379.084396	188.4
[M+Na]+	401.066338	194.7
[M-H]-	377.069844	199.0
[M+NH4]+	396.110943	200.2
[M+K]+	417.040278	189.0
[M+H-H2O]+	361.074380	178.7
[M+HCOO]-	423.075321	209.8
[M+CH3COO]-	437.090971	220.8
[M+Na-2H]-	399.051786	192.1
[M]+	378.07657142	191.6
[M]-	378.07766858	191.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.