CID 9574255

2clphcon2 4acnp

Structural Information

Molecular Formula

C₁₆H₁₄ClN₃O₂

SMILES

CC(=O)NC1=CC=C(C=C1)/C=N/NC(=O)C2=CC=CC=C2Cl

InChI

InChI=1S/C16H14ClN3O2/c1-11(21)19-13-8-6-12(7-9-13)10-18-20-16(22)14-4-2-3-5-15(14)17/h2-10H,1H3,(H,19,21)(H,20,22)/b18-10+

InChIKey

LQGABHSLZUDEPR-VCHYOVAHSA-N

Compound name

N-[(E)-(4-acetamidophenyl)methylideneamino]-2-chlorobenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 315.07745 Da
Monoisotopic Mass: 2.6
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]+	316.084726	172.7
[M+Na]+	338.066668	179.3
[M-H]-	314.070174	180.7
[M+NH4]+	333.111273	187.6
[M+K]+	354.040608	174.4
[M+H-H2O]+	298.074710	164.8
[M+HCOO]-	360.075651	195.5
[M+CH3COO]-	374.091301	212.9
[M+Na-2H]-	336.052116	176.8
[M]+	315.07690142	174.6
[M]-	315.07799858	174.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.