CID 10660412

Sinalbin a

Structural Information

Molecular Formula
C12H12N2O2S2
SMILES
CON1C2=CC=CC=C2C3=C1SC(=NC3)S(=O)C
InChI
InChI=1S/C12H12N2O2S2/c1-16-14-10-6-4-3-5-8(10)9-7-13-12(18(2)15)17-11(9)14/h3-6H,7H2,1-2H3
InChIKey
IVCVQRJWYKCARE-UHFFFAOYSA-N
Compound name
9-methoxy-2-methylsulfinyl-4H-[1,3]thiazino[6,5-b]indole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

280.03403 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.04131 157.4
[M+Na]+ 303.02325 170.9
[M+NH4]+ 298.06785 166.8
[M+K]+ 318.99719 162.1
[M-H]- 279.02675 159.6
[M+Na-2H]- 301.00870 161.9
[M]+ 280.03348 161.0
[M]- 280.03458 161.0
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.