CID 10265686

Phygrine

Structural Information

Molecular Formula

C₁₆H₂₈N₂O₂

SMILES

CC(=O)CC1CCC(N1C)CC(=O)CC2CCCN2C

InChI

InChI=1S/C16H28N2O2/c1-12(19)9-14-6-7-15(18(14)3)11-16(20)10-13-5-4-8-17(13)2/h13-15H,4-11H2,1-3H3

InChIKey

UBFAEXSSMSJTQV-UHFFFAOYSA-N

Compound name

1-[1-methyl-5-(2-oxopropyl)pyrrolidin-2-yl]-3-(1-methylpyrrolidin-2-yl)propan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 280.2151 Da
Monoisotopic Mass: 0.7
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]+	281.22238	171.5
[M+Na]+	303.20432	178.3
[M+NH4]+	298.24892	177.3
[M+K]+	319.17826	177.2
[M-H]-	279.20782	171.4
[M+Na-2H]-	301.18977	172.0
[M]+	280.21455	171.9
[M]-	280.21565	171.9

Literature stripe

literature stripe

Patent stripe

patents stripe