CID 3062947

Pyrrolidine, 1-(3-phenyl-3-(phenylthio)propyl)-, oxalate

Structural Information

Molecular Formula
C19H23NS
SMILES
C1CCN(C1)CCC(C2=CC=CC=C2)SC3=CC=CC=C3
InChI
InChI=1S/C19H23NS/c1-3-9-17(10-4-1)19(13-16-20-14-7-8-15-20)21-18-11-5-2-6-12-18/h1-6,9-12,19H,7-8,13-16H2
InChIKey
JITCCRVUWMMUMB-UHFFFAOYSA-N
Compound name
1-(3-phenyl-3-phenylsulfanylpropyl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.15512 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.16240 170.5
[M+Na]+ 320.14434 183.6
[M+NH4]+ 315.18894 180.6
[M+K]+ 336.11828 174.0
[M-H]- 296.14784 177.2
[M+Na-2H]- 318.12979 180.0
[M]+ 297.15457 174.9
[M]- 297.15567 174.9
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.