CID 3327259

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

Structural Information

Molecular Formula
C12H14N2S
SMILES
C1CCNC(C1)C2=NC3=CC=CC=C3S2
InChI
InChI=1S/C12H14N2S/c1-2-7-11-9(5-1)14-12(15-11)10-6-3-4-8-13-10/h1-2,5,7,10,13H,3-4,6,8H2
InChIKey
QXJHTXUNRZNJKT-UHFFFAOYSA-N
Compound name
2-piperidin-2-yl-1,3-benzothiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

22
Patents

218.08777 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.095046 145.1
[M+Na]+ 241.076988 153.5
[M-H]- 217.080494 148.7
[M+NH4]+ 236.121593 163.7
[M+K]+ 257.050928 148.2
[M+H-H2O]+ 201.085030 138.0
[M+HCOO]- 263.085971 159.2
[M+CH3COO]- 277.101621 157.0
[M+Na-2H]- 239.062436 148.4
[M]+ 218.08722142 142.5
[M]- 218.08831858 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