CID 264060

2-(benzothiazol-2-ylsulfanyl)-1-phenyl-ethanone

Structural Information

Molecular Formula
C15H11NOS2
SMILES
C1=CC=C(C=C1)C(=O)CSC2=NC3=CC=CC=C3S2
InChI
InChI=1S/C15H11NOS2/c17-13(11-6-2-1-3-7-11)10-18-15-16-12-8-4-5-9-14(12)19-15/h1-9H,10H2
InChIKey
YYFVNSLIEHKDBT-UHFFFAOYSA-N
Compound name
2-(1,3-benzothiazol-2-ylsulfanyl)-1-phenylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

2
Patents

285.0282 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.03548 160.8
[M+Na]+ 308.01742 171.7
[M-H]- 284.02092 167.7
[M+NH4]+ 303.06202 179.1
[M+K]+ 323.99136 165.4
[M+H-H2O]+ 268.02546 154.6
[M+HCOO]- 330.02640 174.9
[M+CH3COO]- 344.04205 173.3
[M+Na-2H]- 306.00287 163.2
[M]+ 285.02765 165.9
[M]- 285.02875 165.9
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