CID 208050

31617-17-1

Structural Information

Molecular Formula

C₁₉H₁₉NO

SMILES

C1C=CCN1CC(C2=CC=CC=C2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H19NO/c21-19(17-11-5-2-6-12-17)18(15-20-13-7-8-14-20)16-9-3-1-4-10-16/h1-12,18H,13-15H2

InChIKey

AEEMNYSDHPJNFA-UHFFFAOYSA-N

Compound name

3-(2,5-dihydropyrrol-1-yl)-1,2-diphenylpropan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 277.14667 Da
Monoisotopic Mass: 3.5
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]+	278.153946	166.6
[M+Na]+	300.135888	170.8
[M-H]-	276.139394	174.1
[M+NH4]+	295.180493	181.8
[M+K]+	316.109828	166.2
[M+H-H2O]+	260.143930	157.2
[M+HCOO]-	322.144871	187.1
[M+CH3COO]-	336.160521	177.2
[M+Na-2H]-	298.121336	168.2
[M]+	277.14612142	164.0
[M]-	277.14721858	164.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe