CID 379311

Nsc663862

Structural Information

Molecular Formula
C21H26N2OS
SMILES
CCC1=CC=CC=C1C(C2=CSC=C2)C(=O)NC3CN4CCC3CC4
InChI
InChI=1S/C21H26N2OS/c1-2-15-5-3-4-6-18(15)20(17-9-12-25-14-17)21(24)22-19-13-23-10-7-16(19)8-11-23/h3-6,9,12,14,16,19-20H,2,7-8,10-11,13H2,1H3,(H,22,24)
InChIKey
QLACBZMQIWOMPJ-UHFFFAOYSA-N
Compound name
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(2-ethylphenyl)-2-thiophen-3-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.17657 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.18385 178.0
[M+Na]+ 377.16579 179.3
[M-H]- 353.16929 178.4
[M+NH4]+ 372.21039 195.5
[M+K]+ 393.13973 175.1
[M+H-H2O]+ 337.17383 171.4
[M+HCOO]- 399.17477 183.4
[M+CH3COO]- 413.19042 185.1
[M+Na-2H]- 375.15124 181.9
[M]+ 354.17602 179.9
[M]- 354.17712 179.9
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.