CID 69252541

Indothiazinone

Structural Information

Molecular Formula
C12H8N2OS
SMILES
C1=CC=C2C(=C1)C(=CN2)C(=O)C3=NC=CS3
InChI
InChI=1S/C12H8N2OS/c15-11(12-13-5-6-16-12)9-7-14-10-4-2-1-3-8(9)10/h1-7,14H
InChIKey
DFYPIVYFSGGXGT-UHFFFAOYSA-N
Compound name
1H-indol-3-yl(1,3-thiazol-2-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

18
Patents

228.03574 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.04302 147.1
[M+Na]+ 251.02496 160.5
[M+NH4]+ 246.06956 156.2
[M+K]+ 266.99890 155.3
[M-H]- 227.02846 150.0
[M+Na-2H]- 249.01041 154.5
[M]+ 228.03519 150.3
[M]- 228.03629 150.3
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