CID 381975

65746-64-7

Structural Information

Molecular Formula

C₂₀H₂₀N₂O

SMILES

C1CCN(C1)C(=O)CN2C3=CC=CC=C3C=C2C4=CC=CC=C4

InChI

InChI=1S/C20H20N2O/c23-20(21-12-6-7-13-21)15-22-18-11-5-4-10-17(18)14-19(22)16-8-2-1-3-9-16/h1-5,8-11,14H,6-7,12-13,15H2

InChIKey

XQQKZHKJJACIRO-UHFFFAOYSA-N

Compound name

2-(2-phenylindol-1-yl)-1-pyrrolidin-1-ylethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 304.15756 Da
Monoisotopic Mass: 3.8
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]+	305.164836	172.7
[M+Na]+	327.146778	179.9
[M-H]-	303.150284	180.9
[M+NH4]+	322.191383	189.0
[M+K]+	343.120718	174.2
[M+H-H2O]+	287.154820	163.3
[M+HCOO]-	349.155761	193.1
[M+CH3COO]-	363.171411	183.8
[M+Na-2H]-	325.132226	173.2
[M]+	304.15701142	172.0
[M]-	304.15810858	172.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe