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 165.0
[M+Na]+ 306.12869 169.8
[M-H]- 282.13219 172.0
[M+NH4]+ 301.17329 179.4
[M+K]+ 322.10263 163.8
[M+H-H2O]+ 266.13673 155.8
[M+HCOO]- 328.13767 179.0
[M+CH3COO]- 342.15332 175.0
[M+Na-2H]- 304.11414 166.9
[M]+ 283.13892 161.7
[M]- 283.14002 161.7
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