CID 5331338

4etophcon2 4clp

Structural Information

Molecular Formula

C₁₆H₁₅ClN₂O₂

SMILES

CCOC1=CC=C(C=C1)C(=O)N/N=C/C2=CC=C(C=C2)Cl

InChI

InChI=1S/C16H15ClN2O2/c1-2-21-15-9-5-13(6-10-15)16(20)19-18-11-12-3-7-14(17)8-4-12/h3-11H,2H2,1H3,(H,19,20)/b18-11+

InChIKey

UNPDUHLSVWZICK-WOJGMQOQSA-N

Compound name

N-[(E)-(4-chlorophenyl)methylideneamino]-4-ethoxybenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 302.0822 Da
Monoisotopic Mass: 3.5
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	169.0
[M+Na]+	325.071418	176.4
[M-H]-	301.074924	176.8
[M+NH4]+	320.116023	184.9
[M+K]+	341.045358	171.4
[M+H-H2O]+	285.079460	161.1
[M+HCOO]-	347.080401	191.5
[M+CH3COO]-	361.096051	208.3
[M+Na-2H]-	323.056866	173.9
[M]+	302.08165142	172.9
[M]-	302.08274858	172.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.