CID 68840

Etifelmine

Structural Information

Molecular Formula

C₁₇H₁₉N

SMILES

CCC(=C(C1=CC=CC=C1)C2=CC=CC=C2)CN

InChI

InChI=1S/C17H19N/c1-2-14(13-18)17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12H,2,13,18H2,1H3

InChIKey

WNKCJOWTKXGERE-UHFFFAOYSA-N

Compound name

2-benzhydrylidenebutan-1-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 10
References: 882
Patents: 237.15175 Da
Monoisotopic Mass: 4.4
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]+	238.159026	157.9
[M+Na]+	260.140968	162.2
[M-H]-	236.144474	163.2
[M+NH4]+	255.185573	174.4
[M+K]+	276.114908	157.4
[M+H-H2O]+	220.149010	150.1
[M+HCOO]-	282.149951	179.9
[M+CH3COO]-	296.165601	195.5
[M+Na-2H]-	258.126416	161.2
[M]+	237.15120142	154.3
[M]-	237.15229858	154.3

Literature stripe

literature stripe

Patent stripe

patents stripe