CID 16122638

(5r)-n,n-diethyl-5-methyl-2-[(thiophen-2-ylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Structural Information

Molecular Formula
C19H24N2O2S2
SMILES
CCN(CC)C(=O)C1=C(SC2=C1C[C@@H](CC2)C)NC(=O)C3=CC=CS3
InChI
InChI=1S/C19H24N2O2S2/c1-4-21(5-2)19(23)16-13-11-12(3)8-9-14(13)25-18(16)20-17(22)15-7-6-10-24-15/h6-7,10,12H,4-5,8-9,11H2,1-3H3,(H,20,22)/t12-/m1/s1
InChIKey
UQKSYQYWUHUIEH-GFCCVEGCSA-N
Compound name
(5R)-N,N-diethyl-5-methyl-2-(thiophene-2-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

376.12793 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.13521 190.9
[M+Na]+ 399.11715 197.0
[M-H]- 375.12065 199.5
[M+NH4]+ 394.16175 208.6
[M+K]+ 415.09109 192.9
[M+H-H2O]+ 359.12519 185.1
[M+HCOO]- 421.12613 204.0
[M+CH3COO]- 435.14178 222.0
[M+Na-2H]- 397.10260 186.8
[M]+ 376.12738 196.0
[M]- 376.12848 196.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe