CID 44426097

Chembl229064

Structural Information

Molecular Formula

C₁₄H₁₃NO

SMILES

CC(=O)N/C=C/C1=CC2=CC=CC=C2C=C1

InChI

InChI=1S/C14H13NO/c1-11(16)15-9-8-12-6-7-13-4-2-3-5-14(13)10-12/h2-10H,1H3,(H,15,16)/b9-8+

InChIKey

HPUFRTSCBOYJIZ-CMDGGOBGSA-N

Compound name

N-[(E)-2-naphthalen-2-ylethenyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 211.09972 Da
Monoisotopic Mass: 2.8
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]+	212.10700	146.1
[M+Na]+	234.08894	153.3
[M-H]-	210.09244	150.5
[M+NH4]+	229.13354	165.7
[M+K]+	250.06288	149.2
[M+H-H2O]+	194.09698	139.6
[M+HCOO]-	256.09792	169.6
[M+CH3COO]-	270.11357	189.6
[M+Na-2H]-	232.07439	153.4
[M]+	211.09917	145.5
[M]-	211.10027	145.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.