CID 64921

99507-54-7

Structural Information

Molecular Formula
C20H23NOS
SMILES
C1CCN(CC1)C(=O)CC(C2=CC=CC=C2)SC3=CC=CC=C3
InChI
InChI=1S/C20H23NOS/c22-20(21-14-8-3-9-15-21)16-19(17-10-4-1-5-11-17)23-18-12-6-2-7-13-18/h1-2,4-7,10-13,19H,3,8-9,14-16H2
InChIKey
GXTABIWPRLPCQH-UHFFFAOYSA-N
Compound name
3-phenyl-3-phenylsulfanyl-1-piperidin-1-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.15002 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.15730 177.1
[M+Na]+ 348.13924 179.5
[M-H]- 324.14274 183.5
[M+NH4]+ 343.18384 189.0
[M+K]+ 364.11318 174.1
[M+H-H2O]+ 308.14728 167.4
[M+HCOO]- 370.14822 188.7
[M+CH3COO]- 384.16387 185.4
[M+Na-2H]- 346.12469 176.7
[M]+ 325.14947 173.5
[M]- 325.15057 173.5
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.