CID 473049

6-[3-(dimethylamino)benzoyl]-3-methyl-1,3-benzothiazol-2-one

Structural Information

Molecular Formula
C17H16N2O2S
SMILES
CN1C2=C(C=C(C=C2)C(=O)C3=CC(=CC=C3)N(C)C)SC1=O
InChI
InChI=1S/C17H16N2O2S/c1-18(2)13-6-4-5-11(9-13)16(20)12-7-8-14-15(10-12)22-17(21)19(14)3/h4-10H,1-3H3
InChIKey
YPZIWLBSQSIYEB-UHFFFAOYSA-N
Compound name
6-[3-(dimethylamino)benzoyl]-3-methyl-1,3-benzothiazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

312.09326 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.10054 171.0
[M+Na]+ 335.08248 181.9
[M-H]- 311.08598 180.2
[M+NH4]+ 330.12708 188.6
[M+K]+ 351.05642 177.6
[M+H-H2O]+ 295.09052 163.5
[M+HCOO]- 357.09146 191.2
[M+CH3COO]- 371.10711 210.8
[M+Na-2H]- 333.06793 172.2
[M]+ 312.09271 178.1
[M]- 312.09381 178.1
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

No patent data available for this compound.