CID 10710472

Grenadamide

Structural Information

Molecular Formula

C₂₁H₃₃NO

SMILES

CCCCCCC[C@H]1C[C@@H]1CCC(=O)NCCC2=CC=CC=C2

InChI

InChI=1S/C21H33NO/c1-2-3-4-5-9-12-19-17-20(19)13-14-21(23)22-16-15-18-10-7-6-8-11-18/h6-8,10-11,19-20H,2-5,9,12-17H2,1H3,(H,22,23)/t19-,20-/m0/s1

InChIKey

DBLLDTYDBSMYBP-PMACEKPBSA-N

Compound name

3-[(1S,2S)-2-heptylcyclopropyl]-N-(2-phenylethyl)propanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 0
Patents: 315.25623 Da
Monoisotopic Mass: 6.4
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]+	316.263506	176.9
[M+Na]+	338.245448	181.4
[M-H]-	314.248954	182.8
[M+NH4]+	333.290053	186.7
[M+K]+	354.219388	176.1
[M+H-H2O]+	298.253490	168.5
[M+HCOO]-	360.254431	198.7
[M+CH3COO]-	374.270081	215.0
[M+Na-2H]-	336.230896	178.1
[M]+	315.25568142	181.9
[M]-	315.25677858	181.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.