CID 6366646

74056-26-1

Structural Information

Molecular Formula

C₂₆H₂₉NO

SMILES

CCN(CC)CCOC1=CC=C(C=C1)/C(=C/C2=CC=CC=C2)/C3=CC=CC=C3

InChI

InChI=1S/C26H29NO/c1-3-27(4-2)19-20-28-25-17-15-24(16-18-25)26(23-13-9-6-10-14-23)21-22-11-7-5-8-12-22/h5-18,21H,3-4,19-20H2,1-2H3/b26-21+

InChIKey

YOKPBLYAKJJMQO-YYADALCUSA-N

Compound name

2-[4-[(E)-1,2-diphenylethenyl]phenoxy]-N,N-diethylethanamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 70
Patents: 371.2249 Da
Monoisotopic Mass: 6.8
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]+	372.232176	195.6
[M+Na]+	394.214118	198.3
[M-H]-	370.217624	204.9
[M+NH4]+	389.258723	206.9
[M+K]+	410.188058	192.7
[M+H-H2O]+	354.222160	184.6
[M+HCOO]-	416.223101	217.9
[M+CH3COO]-	430.238751	224.4
[M+Na-2H]-	392.199566	197.1
[M]+	371.22435142	196.7
[M]-	371.22544858	196.7

Literature stripe

literature stripe

Patent stripe

patents stripe