CID 379313

Nsc663864

Structural Information

Molecular Formula
C20H24N2O2S
SMILES
COC1=CC=CC=C1C(C2=CSC=C2)C(=O)NC3CN4CCC3CC4
InChI
InChI=1S/C20H24N2O2S/c1-24-18-5-3-2-4-16(18)19(15-8-11-25-13-15)20(23)21-17-12-22-9-6-14(17)7-10-22/h2-5,8,11,13-14,17,19H,6-7,9-10,12H2,1H3,(H,21,23)
InChIKey
NODKALNPAIZCCK-UHFFFAOYSA-N
Compound name
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(2-methoxyphenyl)-2-thiophen-3-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.15585 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.16313 176.3
[M+Na]+ 379.14507 177.7
[M-H]- 355.14857 176.8
[M+NH4]+ 374.18967 193.6
[M+K]+ 395.11901 174.5
[M+H-H2O]+ 339.15311 169.8
[M+HCOO]- 401.15405 182.1
[M+CH3COO]- 415.16970 183.6
[M+Na-2H]- 377.13052 181.1
[M]+ 356.15530 179.3
[M]- 356.15640 179.3
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.