CID 71108

Felipyrine

Structural Information

Molecular Formula

C₁₅H₂₀N₂O

SMILES

C1CCN(CC1)C2CCN(C2=O)C3=CC=CC=C3

InChI

InChI=1S/C15H20N2O/c18-15-14(16-10-5-2-6-11-16)9-12-17(15)13-7-3-1-4-8-13/h1,3-4,7-8,14H,2,5-6,9-12H2

InChIKey

TYGVJQQISVEFSH-UHFFFAOYSA-N

Compound name

1-phenyl-3-piperidin-1-ylpyrrolidin-2-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 33
Patents: 244.15756 Da
Monoisotopic Mass: 2.4
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]+	245.164836	158.3
[M+Na]+	267.146778	162.6
[M-H]-	243.150284	164.1
[M+NH4]+	262.191383	173.9
[M+K]+	283.120718	158.6
[M+H-H2O]+	227.154820	148.6
[M+HCOO]-	289.155761	175.0
[M+CH3COO]-	303.171411	168.6
[M+Na-2H]-	265.132226	158.7
[M]+	244.15701142	151.2
[M]-	244.15810858	151.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe