CID 3344

Fenspiride

Structural Information

Molecular Formula

C₁₅H₂₀N₂O₂

SMILES

C1CN(CCC12CNC(=O)O2)CCC3=CC=CC=C3

InChI

InChI=1S/C15H20N2O2/c18-14-16-12-15(19-14)7-10-17(11-8-15)9-6-13-4-2-1-3-5-13/h1-5H,6-12H2,(H,16,18)

InChIKey

FVNFBBAOMBJTST-UHFFFAOYSA-N

Compound name

8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 87
References: 28279
Patents: 260.15247 Da
Monoisotopic Mass: 2.1
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]+	261.159746	161.5
[M+Na]+	283.141688	166.3
[M-H]-	259.145194	165.7
[M+NH4]+	278.186293	176.9
[M+K]+	299.115628	162.9
[M+H-H2O]+	243.149730	152.6
[M+HCOO]-	305.150671	176.0
[M+CH3COO]-	319.166321	171.3
[M+Na-2H]-	281.127136	164.5
[M]+	260.15192142	155.3
[M]-	260.15301858	155.3

Literature stripe

literature stripe

Patent stripe

patents stripe