CID 3056143

4-((methylamino)methyl)-9-propionyl-2,3,4,9-tetrahydrothiopyrano(2,3-b)indole hydrochloride

Structural Information

Molecular Formula
C16H20N2OS
SMILES
CCC(=O)CN1C2=CC=CC=C2C3=C1SCCC3CN
InChI
InChI=1S/C16H20N2OS/c1-2-12(19)10-18-14-6-4-3-5-13(14)15-11(9-17)7-8-20-16(15)18/h3-6,11H,2,7-10,17H2,1H3
InChIKey
ZCSJSOUUSKFTFJ-UHFFFAOYSA-N
Compound name
1-[4-(aminomethyl)-3,4-dihydro-2H-thiopyrano[2,3-b]indol-9-yl]butan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.12964 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.13692 165.2
[M+Na]+ 311.11886 176.8
[M+NH4]+ 306.16346 174.4
[M+K]+ 327.09280 169.1
[M-H]- 287.12236 168.2
[M+Na-2H]- 309.10431 169.0
[M]+ 288.12909 168.1
[M]- 288.13019 168.1
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.