CID 3056087

Brn 0549863

Structural Information

Molecular Formula
C13H16N2O2S
SMILES
CNCC1CCS(=O)(=O)C2=C1C3=CC=CC=C3N2
InChI
InChI=1S/C13H16N2O2S/c1-14-8-9-6-7-18(16,17)13-12(9)10-4-2-3-5-11(10)15-13/h2-5,9,14-15H,6-8H2,1H3
InChIKey
WXJXRVGXEGIWML-UHFFFAOYSA-N
Compound name
1-(1,1-dioxo-2,3,4,9-tetrahydrothiopyrano[2,3-b]indol-4-yl)-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.09326 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.10054 155.8
[M+Na]+ 287.08248 167.7
[M+NH4]+ 282.12708 166.0
[M+K]+ 303.05642 158.7
[M-H]- 263.08598 157.9
[M+Na-2H]- 285.06793 161.6
[M]+ 264.09271 158.6
[M]- 264.09381 158.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.