CID 202023

Brn 0253131

Structural Information

Molecular Formula
C20H25NS
SMILES
C1CCN(CC1)CCSC(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C20H25NS/c1-4-10-18(11-5-1)20(19-12-6-2-7-13-19)22-17-16-21-14-8-3-9-15-21/h1-2,4-7,10-13,20H,3,8-9,14-17H2
InChIKey
WPCPIQRKQJDBCZ-UHFFFAOYSA-N
Compound name
1-(2-benzhydrylsulfanylethyl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

311.17078 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.17806 173.6
[M+Na]+ 334.16000 187.5
[M+NH4]+ 329.20460 183.7
[M+K]+ 350.13394 175.6
[M-H]- 310.16350 180.9
[M+Na-2H]- 332.14545 183.9
[M]+ 311.17023 178.3
[M]- 311.17133 178.3
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

patents stripe