CID 208029

31468-86-7

Structural Information

Molecular Formula
C17H19NOS
SMILES
C1CCN(C1)CC(C2=CC=CC=C2)C(=O)C3=CC=CS3
InChI
InChI=1S/C17H19NOS/c19-17(16-9-6-12-20-16)15(13-18-10-4-5-11-18)14-7-2-1-3-8-14/h1-3,6-9,12,15H,4-5,10-11,13H2
InChIKey
OYTGEBGGSBIUEC-UHFFFAOYSA-N
Compound name
2-phenyl-3-pyrrolidin-1-yl-1-thiophen-2-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

285.11874 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.12602 166.9
[M+Na]+ 308.10796 177.4
[M+NH4]+ 303.15256 175.9
[M+K]+ 324.08190 171.9
[M-H]- 284.11146 171.7
[M+Na-2H]- 306.09341 174.1
[M]+ 285.11819 170.1
[M]- 285.11929 170.1
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