CID 13325811

84012-57-7

Structural Information

Molecular Formula
C13H16N2OS
SMILES
C1CCN(CC1)CN2C(=O)C3=CC=CC=C3S2
InChI
InChI=1S/C13H16N2OS/c16-13-11-6-2-3-7-12(11)17-15(13)10-14-8-4-1-5-9-14/h2-3,6-7H,1,4-5,8-10H2
InChIKey
NCHWTFBQYUSMGV-UHFFFAOYSA-N
Compound name
2-(piperidin-1-ylmethyl)-1,2-benzothiazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

248.09833 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.105606 153.4
[M+Na]+ 271.087548 162.7
[M-H]- 247.091054 158.6
[M+NH4]+ 266.132153 171.7
[M+K]+ 287.061488 158.0
[M+H-H2O]+ 231.095590 145.9
[M+HCOO]- 293.096531 169.0
[M+CH3COO]- 307.112181 165.7
[M+Na-2H]- 269.072996 155.8
[M]+ 248.09778142 154.0
[M]- 248.09887858 154.0
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