CID 9554344

N'-benzylidene-2-(4-chlorophenoxy)propanohydrazide

Structural Information

Molecular Formula

C₁₆H₁₅ClN₂O₂

SMILES

CC(C(=O)N/N=C/C1=CC=CC=C1)OC2=CC=C(C=C2)Cl

InChI

InChI=1S/C16H15ClN2O2/c1-12(21-15-9-7-14(17)8-10-15)16(20)19-18-11-13-5-3-2-4-6-13/h2-12H,1H3,(H,19,20)/b18-11+

InChIKey

POTCWKXLEUUCSD-WOJGMQOQSA-N

Compound name

N-[(E)-benzylideneamino]-2-(4-chlorophenoxy)propanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 302.0822 Da
Monoisotopic Mass: 3.9
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]+	303.089476	169.1
[M+Na]+	325.071418	175.2
[M-H]-	301.074924	176.6
[M+NH4]+	320.116023	184.6
[M+K]+	341.045358	170.8
[M+H-H2O]+	285.079460	161.2
[M+HCOO]-	347.080401	190.6
[M+CH3COO]-	361.096051	208.0
[M+Na-2H]-	323.056866	173.6
[M]+	302.08165142	172.1
[M]-	302.08274858	172.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.