CID 34483

Lu 5-071 hydrochloride

Structural Information

Molecular Formula
C21H27NO2S
SMILES
CC1(C2=CC=CC=C2C(S1(=O)=O)(CCCN(C)C)C3=CC=CC=C3)C
InChI
InChI=1S/C21H27NO2S/c1-20(2)18-13-8-9-14-19(18)21(25(20,23)24,15-10-16-22(3)4)17-11-6-5-7-12-17/h5-9,11-14H,10,15-16H2,1-4H3
InChIKey
WQVNLAMDZVJKPE-UHFFFAOYSA-N
Compound name
3-(3,3-dimethyl-2,2-dioxo-1-phenyl-2-benzothiophen-1-yl)-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.17624 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.18352 181.2
[M+Na]+ 380.16546 193.3
[M+NH4]+ 375.21006 194.1
[M+K]+ 396.13940 179.7
[M-H]- 356.16896 186.1
[M+Na-2H]- 378.15091 192.5
[M]+ 357.17569 185.4
[M]- 357.17679 185.4
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.