CID 204499

Ipk 17

Structural Information

Molecular Formula

C₁₉H₂₂N₂O

SMILES

CN(C)CCC(=O)N1C2=CC=CC=C2CCC3=CC=CC=C31

InChI

InChI=1S/C19H22N2O/c1-20(2)14-13-19(22)21-17-9-5-3-7-15(17)11-12-16-8-4-6-10-18(16)21/h3-10H,11-14H2,1-2H3

InChIKey

MLUPYKODOKSLBI-UHFFFAOYSA-N

Compound name

1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-3-(dimethylamino)propan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 294.17322 Da
Monoisotopic Mass: 3.1
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]+	295.180496	168.0
[M+Na]+	317.162438	173.2
[M-H]-	293.165944	174.0
[M+NH4]+	312.207043	183.6
[M+K]+	333.136378	173.6
[M+H-H2O]+	277.170480	161.0
[M+HCOO]-	339.171421	186.7
[M+CH3COO]-	353.187071	178.5
[M+Na-2H]-	315.147886	173.1
[M]+	294.17267142	166.3
[M]-	294.17376858	166.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.