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

13
Patents

232.10342 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.11070 149.9
[M+Na]+ 255.09264 158.8
[M-H]- 231.09614 153.7
[M+NH4]+ 250.13724 168.3
[M+K]+ 271.06658 153.2
[M+H-H2O]+ 215.10068 142.9
[M+HCOO]- 277.10162 163.6
[M+CH3COO]- 291.11727 161.7
[M+Na-2H]- 253.07809 152.0
[M]+ 232.10287 148.1
[M]- 232.10397 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