CID 3087825

116627-82-8

Structural Information

Molecular Formula
C24H26N2OS
SMILES
CN([C@H]1[C@@H](CC2=CC=CC=C12)N3CCCC3)C(=O)CC4=C5C=CSC5=CC=C4
InChI
InChI=1S/C24H26N2OS/c1-25(23(27)16-18-8-6-10-22-19(18)11-14-28-22)24-20-9-3-2-7-17(20)15-21(24)26-12-4-5-13-26/h2-3,6-11,14,21,24H,4-5,12-13,15-16H2,1H3/t21-,24-/m1/s1
InChIKey
BHSBSYWPHBUFFC-ZJSXRUAMSA-N
Compound name
2-(1-benzothiophen-4-yl)-N-methyl-N-[(1R,2R)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

390.17657 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.18385 191.4
[M+Na]+ 413.16579 202.7
[M+NH4]+ 408.21039 201.3
[M+K]+ 429.13973 197.9
[M-H]- 389.16929 198.3
[M+Na-2H]- 411.15124 197.8
[M]+ 390.17602 195.4
[M]- 390.17712 195.4
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

patents stripe