CID 2327953

716376-21-5

Structural Information

Molecular Formula
C19H20N2O3S2
SMILES
CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3S2)S(=O)(=O)N4CCCCC4
InChI
InChI=1S/C19H20N2O3S2/c1-14-9-10-15(21-19(22)16-7-3-4-8-17(16)25-21)13-18(14)26(23,24)20-11-5-2-6-12-20/h3-4,7-10,13H,2,5-6,11-12H2,1H3
InChIKey
NKPYARCADGOZKH-UHFFFAOYSA-N
Compound name
2-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-1,2-benzothiazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

2
Patents

388.09152 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.09880 189.9
[M+Na]+ 411.08074 200.1
[M-H]- 387.08424 198.1
[M+NH4]+ 406.12534 202.5
[M+K]+ 427.05468 193.1
[M+H-H2O]+ 371.08878 182.6
[M+HCOO]- 433.08972 198.9
[M+CH3COO]- 447.10537 199.8
[M+Na-2H]- 409.06619 190.5
[M]+ 388.09097 192.8
[M]- 388.09207 192.8
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