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

0
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 169.5
[M+Na]+ 308.10796 174.6
[M-H]- 284.11146 177.8
[M+NH4]+ 303.15256 187.4
[M+K]+ 324.08190 170.9
[M+H-H2O]+ 268.11600 162.0
[M+HCOO]- 330.11694 185.5
[M+CH3COO]- 344.13259 180.4
[M+Na-2H]- 306.09341 165.8
[M]+ 285.11819 168.8
[M]- 285.11929 168.8
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