CID 3063784

101584-77-4

Structural Information

Molecular Formula
C17H19NO2S
SMILES
C1CCN(C1)CC(C2=CC=CC=C2)OC(=O)C3=CC=CS3
InChI
InChI=1S/C17H19NO2S/c19-17(16-9-6-12-21-16)20-15(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
ZWTDZPDPZQBRRV-UHFFFAOYSA-N
Compound name
(1-phenyl-2-pyrrolidin-1-ylethyl) thiophene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.11365 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.12093 170.2
[M+Na]+ 324.10287 180.3
[M+NH4]+ 319.14747 178.7
[M+K]+ 340.07681 175.3
[M-H]- 300.10637 174.5
[M+Na-2H]- 322.08832 177.0
[M]+ 301.11310 173.2
[M]- 301.11420 173.2
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.