CID 10752128

1-(1,3-benzothiazol-2-yl)piperidin-4-amine dihydrochloride

Structural Information

Molecular Formula
C12H15N3S
SMILES
C1CN(CCC1N)C2=NC3=CC=CC=C3S2
InChI
InChI=1S/C12H15N3S/c13-9-5-7-15(8-6-9)12-14-10-3-1-2-4-11(10)16-12/h1-4,9H,5-8,13H2
InChIKey
PZOCPPJEPGKJJI-UHFFFAOYSA-N
Compound name
1-(1,3-benzothiazol-2-yl)piperidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

233.09866 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.10594 148.5
[M+Na]+ 256.08788 161.3
[M+NH4]+ 251.13248 158.5
[M+K]+ 272.06182 153.7
[M-H]- 232.09138 153.3
[M+Na-2H]- 254.07333 155.8
[M]+ 233.09811 152.1
[M]- 233.09921 152.1
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