CID 10538290

882863-72-1

Structural Information

Molecular Formula
C14H16N2S
SMILES
C1CNCCC1SC2=NC3=CC=CC=C3C=C2
InChI
InChI=1S/C14H16N2S/c1-2-4-13-11(3-1)5-6-14(16-13)17-12-7-9-15-10-8-12/h1-6,12,15H,7-10H2
InChIKey
XPNISRDYUMCSKS-UHFFFAOYSA-N
Compound name
2-piperidin-4-ylsulfanylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.10342 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.11070 152.0
[M+Na]+ 267.09264 158.2
[M-H]- 243.09614 154.5
[M+NH4]+ 262.13724 167.3
[M+K]+ 283.06658 152.1
[M+H-H2O]+ 227.10068 143.8
[M+HCOO]- 289.10162 163.1
[M+CH3COO]- 303.11727 162.1
[M+Na-2H]- 265.07809 156.5
[M]+ 244.10287 147.6
[M]- 244.10397 147.6
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.