CID 786655

Trans-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: 17
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]+	238.122646	154.6
[M+Na]+	260.104588	160.9
[M-H]-	236.108094	161.1
[M+NH4]+	255.149193	171.7
[M+K]+	276.078528	156.3
[M+H-H2O]+	220.112630	146.9
[M+HCOO]-	282.113571	179.0
[M+CH3COO]-	296.129221	193.9
[M+Na-2H]-	258.090036	160.1
[M]+	237.11482142	153.3
[M]-	237.11591858	153.3

Literature stripe

literature stripe

Patent stripe

patents stripe