CID 138516

5460-60-6

Structural Information

Molecular Formula

C₁₆H₁₇NO

SMILES

C1=CC=C(C=C1)CCNC(=O)CC2=CC=CC=C2

InChI

InChI=1S/C16H17NO/c18-16(13-15-9-5-2-6-10-15)17-12-11-14-7-3-1-4-8-14/h1-10H,11-13H2,(H,17,18)

InChIKey

SERBNUYNEAQHNJ-UHFFFAOYSA-N

Compound name

2-phenyl-N-(2-phenylethyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 65
Patents: 239.13101 Da
Monoisotopic Mass: 3.1
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]+	240.13829	157.3
[M+Na]+	262.12023	170.9
[M+NH4]+	257.16483	166.2
[M+K]+	278.09417	162.2
[M-H]-	238.12373	162.7
[M+Na-2H]-	260.10568	167.3
[M]+	239.13046	160.8
[M]-	239.13156	160.8

Literature stripe

literature stripe

Patent stripe

patents stripe