CID 724614

1,3-benzothiazol-2-yl(thiomorpholin-4-yl)methanone

Structural Information

Molecular Formula
C12H12N2OS2
SMILES
C1CSCCN1C(=O)C2=NC3=CC=CC=C3S2
InChI
InChI=1S/C12H12N2OS2/c15-12(14-5-7-16-8-6-14)11-13-9-3-1-2-4-10(9)17-11/h1-4H,5-8H2
InChIKey
YYYFKIZNFDJABQ-UHFFFAOYSA-N
Compound name
1,3-benzothiazol-2-yl(thiomorpholin-4-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

264.0391 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.04638 154.0
[M+Na]+ 287.02832 163.2
[M-H]- 263.03182 158.8
[M+NH4]+ 282.07292 171.7
[M+K]+ 303.00226 158.3
[M+H-H2O]+ 247.03636 147.6
[M+HCOO]- 309.03730 163.7
[M+CH3COO]- 323.05295 165.5
[M+Na-2H]- 285.01377 155.1
[M]+ 264.03855 154.6
[M]- 264.03965 154.6
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.