CID 49811

67367-65-1

Structural Information

Molecular Formula

C₁₈H₂₅NO

SMILES

CCN(CC)CC(=O)C1=C2CCCC2=CC3=C1CCC3

InChI

InChI=1S/C18H25NO/c1-3-19(4-2)12-17(20)18-15-9-5-7-13(15)11-14-8-6-10-16(14)18/h11H,3-10,12H2,1-2H3

InChIKey

JYKASXPCGNGOTM-UHFFFAOYSA-N

Compound name

2-(diethylamino)-1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 271.1936 Da
Monoisotopic Mass: 4.1
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]+	272.200876	169.5
[M+Na]+	294.182818	174.4
[M-H]-	270.186324	175.3
[M+NH4]+	289.227423	191.7
[M+K]+	310.156758	171.1
[M+H-H2O]+	254.190860	163.4
[M+HCOO]-	316.191801	190.1
[M+CH3COO]-	330.207451	206.8
[M+Na-2H]-	292.168266	168.7
[M]+	271.19305142	170.0
[M]-	271.19414858	170.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.