CID 2998624

2-(piperidin-3-yl)-1,3-benzothiazole

Structural Information

Molecular Formula
C12H14N2S
SMILES
C1CC(CNC1)C2=NC3=CC=CC=C3S2
InChI
InChI=1S/C12H14N2S/c1-2-6-11-10(5-1)14-12(15-11)9-4-3-7-13-8-9/h1-2,5-6,9,13H,3-4,7-8H2
InChIKey
PXPKASSSZWCUJE-UHFFFAOYSA-N
Compound name
2-piperidin-3-yl-1,3-benzothiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

5
Patents

218.08777 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.09505 145.1
[M+Na]+ 241.07699 153.5
[M-H]- 217.08049 148.7
[M+NH4]+ 236.12159 163.7
[M+K]+ 257.05093 148.2
[M+H-H2O]+ 201.08503 138.0
[M+HCOO]- 263.08597 159.2
[M+CH3COO]- 277.10162 157.0
[M+Na-2H]- 239.06244 148.4
[M]+ 218.08722 142.5
[M]- 218.08832 142.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe