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 154.2
[M+Na]+ 287.08248 164.8
[M-H]- 263.08598 157.5
[M+NH4]+ 282.12708 175.5
[M+K]+ 303.05642 159.1
[M+H-H2O]+ 247.09052 148.8
[M+HCOO]- 309.09146 170.4
[M+CH3COO]- 323.10711 166.6
[M+Na-2H]- 285.06793 159.9
[M]+ 264.09271 156.2
[M]- 264.09381 156.2
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.