CID 10516766

882865-05-6

Structural Information

Molecular Formula
C14H15ClN2S
SMILES
C1CNCCC1SC2=C3C=C(C=CC3=NC=C2)Cl
InChI
InChI=1S/C14H15ClN2S/c15-10-1-2-13-12(9-10)14(5-8-17-13)18-11-3-6-16-7-4-11/h1-2,5,8-9,11,16H,3-4,6-7H2
InChIKey
AJAGHAMZNXBRAB-UHFFFAOYSA-N
Compound name
6-chloro-4-piperidin-4-ylsulfanylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.06445 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.07173 158.1
[M+Na]+ 301.05367 165.7
[M-H]- 277.05717 160.7
[M+NH4]+ 296.09827 173.1
[M+K]+ 317.02761 158.3
[M+H-H2O]+ 261.06171 150.6
[M+HCOO]- 323.06265 164.4
[M+CH3COO]- 337.07830 168.0
[M+Na-2H]- 299.03912 161.4
[M]+ 278.06390 156.0
[M]- 278.06500 156.0
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.