CID 379315

Nsc663865

Structural Information

Molecular Formula
C24H34N2OS
SMILES
C1CCC(CC1)C(C2=CC3=CC=CC=C3S2)C(=O)NCCCCN4CCCC4
InChI
InChI=1S/C24H34N2OS/c27-24(25-14-6-7-15-26-16-8-9-17-26)23(19-10-2-1-3-11-19)22-18-20-12-4-5-13-21(20)28-22/h4-5,12-13,18-19,23H,1-3,6-11,14-17H2,(H,25,27)
InChIKey
UUFKCRVLZKFHFY-UHFFFAOYSA-N
Compound name
2-(1-benzothiophen-2-yl)-2-cyclohexyl-N-(4-pyrrolidin-1-ylbutyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.2392 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.24648 198.3
[M+Na]+ 421.22842 199.4
[M-H]- 397.23192 205.7
[M+NH4]+ 416.27302 212.1
[M+K]+ 437.20236 194.0
[M+H-H2O]+ 381.23646 189.9
[M+HCOO]- 443.23740 209.9
[M+CH3COO]- 457.25305 205.5
[M+Na-2H]- 419.21387 192.7
[M]+ 398.23865 195.6
[M]- 398.23975 195.6
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.