CID 3080263

N-(2-(phenylthio)benzyl)piperidine maleate

Structural Information

Molecular Formula
C18H21NS
SMILES
C1CCN(CC1)CC2=CC=CC=C2SC3=CC=CC=C3
InChI
InChI=1S/C18H21NS/c1-3-10-17(11-4-1)20-18-12-6-5-9-16(18)15-19-13-7-2-8-14-19/h1,3-6,9-12H,2,7-8,13-15H2
InChIKey
GIIKOPZJCKETRH-UHFFFAOYSA-N
Compound name
1-[(2-phenylsulfanylphenyl)methyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.13947 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.14675 165.3
[M+Na]+ 306.12869 180.4
[M+NH4]+ 301.17329 175.9
[M+K]+ 322.10263 168.3
[M-H]- 282.13219 173.0
[M+Na-2H]- 304.11414 176.2
[M]+ 283.13892 170.4
[M]- 283.14002 170.4
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.