CID 43305042

5-methyl-2-(piperidin-4-yl)-1,3-benzothiazole

Structural Information

Molecular Formula
C13H16N2S
SMILES
CC1=CC2=C(C=C1)SC(=N2)C3CCNCC3
InChI
InChI=1S/C13H16N2S/c1-9-2-3-12-11(8-9)15-13(16-12)10-4-6-14-7-5-10/h2-3,8,10,14H,4-7H2,1H3
InChIKey
ZZSWNCUBPWMLNN-UHFFFAOYSA-N
Compound name
5-methyl-2-piperidin-4-yl-1,3-benzothiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

232.10342 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.110696 149.9
[M+Na]+ 255.092638 158.8
[M-H]- 231.096144 153.7
[M+NH4]+ 250.137243 168.3
[M+K]+ 271.066578 153.2
[M+H-H2O]+ 215.100680 142.9
[M+HCOO]- 277.101621 163.6
[M+CH3COO]- 291.117271 161.7
[M+Na-2H]- 253.078086 152.0
[M]+ 232.10287142 148.1
[M]- 232.10396858 148.1
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

patents stripe