CID 29884

N-(2-diethylaminoethyl)dibenzothiophene-4-carboxamide hydrochloride

Structural Information

Molecular Formula

C₁₉H₂₂N₂OS

SMILES

CCN(CC)CCNC(=O)C1=CC=CC2=C1SC3=CC=CC=C23

InChI

InChI=1S/C19H22N2OS/c1-3-21(4-2)13-12-20-19(22)16-10-7-9-15-14-8-5-6-11-17(14)23-18(15)16/h5-11H,3-4,12-13H2,1-2H3,(H,20,22)

InChIKey

JTUUFUCONRRDRN-UHFFFAOYSA-N

Compound name

N-[2-(diethylamino)ethyl]dibenzothiophene-4-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 326.1453 Da
Monoisotopic Mass: 4.3
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]+	327.152576	176.9
[M+Na]+	349.134518	184.1
[M-H]-	325.138024	183.5
[M+NH4]+	344.179123	195.7
[M+K]+	365.108458	179.5
[M+H-H2O]+	309.142560	169.8
[M+HCOO]-	371.143501	196.6
[M+CH3COO]-	385.159151	216.4
[M+Na-2H]-	347.119966	179.9
[M]+	326.14475142	183.2
[M]-	326.14584858	183.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.