CID 3069965

N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-4-morpholinepropanamide hydrochloride

Structural Information

Molecular Formula

C₁₉H₂₆N₂O₂

SMILES

C1CC2=CC3=C(CCC3)C(=C2C1)NC(=O)CCN4CCOCC4

InChI

InChI=1S/C19H26N2O2/c22-18(7-8-21-9-11-23-12-10-21)20-19-16-5-1-3-14(16)13-15-4-2-6-17(15)19/h13H,1-12H2,(H,20,22)

InChIKey

LGOYOBOAGUIESZ-UHFFFAOYSA-N

Compound name

N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-morpholin-4-ylpropanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 314.19943 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]+	315.206706	175.0
[M+Na]+	337.188648	177.7
[M-H]-	313.192154	181.1
[M+NH4]+	332.233253	191.5
[M+K]+	353.162588	174.4
[M+H-H2O]+	297.196690	167.4
[M+HCOO]-	359.197631	189.9
[M+CH3COO]-	373.213281	184.2
[M+Na-2H]-	335.174096	174.3
[M]+	314.19888142	170.4
[M]-	314.19997858	170.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.