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 176.9
[M+Na]+ 349.13452 184.1
[M-H]- 325.13802 183.5
[M+NH4]+ 344.17912 195.7
[M+K]+ 365.10846 179.5
[M+H-H2O]+ 309.14256 169.8
[M+HCOO]- 371.14350 196.6
[M+CH3COO]- 385.15915 216.4
[M+Na-2H]- 347.11997 179.9
[M]+ 326.14475 183.2
[M]- 326.14585 183.2
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.