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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.15258 176.1
[M+Na]+ 349.13452 187.8
[M+NH4]+ 344.17912 185.5
[M+K]+ 365.10846 179.2
[M-H]- 325.13802 180.8
[M+Na-2H]- 347.11997 182.0
[M]+ 326.14475 179.6
[M]- 326.14585 179.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.