CID 786655

4-acetylaminostilbene

Structural Information

Molecular Formula

C₁₆H₁₅NO

SMILES

CC(=O)NC1=CC=C(C=C1)/C=C/C2=CC=CC=C2

InChI

InChI=1S/C16H15NO/c1-13(18)17-16-11-9-15(10-12-16)8-7-14-5-3-2-4-6-14/h2-12H,1H3,(H,17,18)/b8-7+

InChIKey

XWVCGVPSPHTRHE-BQYQJAHWSA-N

Compound name

N-[4-[(E)-2-phenylethenyl]phenyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 31
References: 35
Patents: 237.11537 Da
Monoisotopic Mass: 3.6
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]+	238.12265	154.6
[M+Na]+	260.10459	160.9
[M-H]-	236.10809	161.1
[M+NH4]+	255.14919	171.7
[M+K]+	276.07853	156.3
[M+H-H2O]+	220.11263	146.9
[M+HCOO]-	282.11357	179.0
[M+CH3COO]-	296.12922	193.9
[M+Na-2H]-	258.09004	160.1
[M]+	237.11482	153.3
[M]-	237.11592	153.3

Literature stripe

literature stripe

Patent stripe

patents stripe