CID 33327

Lu 5-044 hydrochloride

Structural Information

Molecular Formula
C22H28N2OS
SMILES
CC1(C2=CC=CC=C2C(S1)(CCCN(C)C)C(=O)NC3=CC=CC=C3)C
InChI
InChI=1S/C22H28N2OS/c1-21(2)18-13-8-9-14-19(18)22(26-21,15-10-16-24(3)4)20(25)23-17-11-6-5-7-12-17/h5-9,11-14H,10,15-16H2,1-4H3,(H,23,25)
InChIKey
QASADWROXSVRQL-UHFFFAOYSA-N
Compound name
1-[3-(dimethylamino)propyl]-3,3-dimethyl-N-phenyl-2-benzothiophene-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.19223 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.19951 187.6
[M+Na]+ 391.18145 197.9
[M+NH4]+ 386.22605 199.1
[M+K]+ 407.15539 186.1
[M-H]- 367.18495 193.2
[M+Na-2H]- 389.16690 197.2
[M]+ 368.19168 191.4
[M]- 368.19278 191.4
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.