CID 3056084

9-acetyl-4-((dimethylamino)methyl)-2,3,4,9-tetrahydrothiopyrano(2,3-b)indole hydrochloride

Structural Information

Molecular Formula
C16H20N2O2S2
SMILES
CC(=O)N1C2=CC=CC=C2C3=C1OCCC3CN(SC)SC
InChI
InChI=1S/C16H20N2O2S2/c1-11(19)18-14-7-5-4-6-13(14)15-12(8-9-20-16(15)18)10-17(21-2)22-3/h4-7,12H,8-10H2,1-3H3
InChIKey
ZXRLTPCPGXHRHM-UHFFFAOYSA-N
Compound name
1-[4-[[bis(methylsulfanyl)amino]methyl]-3,4-dihydro-2H-pyrano[2,3-b]indol-9-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.09662 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.103896 174.2
[M+Na]+ 359.085838 182.7
[M-H]- 335.089344 179.8
[M+NH4]+ 354.130443 190.9
[M+K]+ 375.059778 179.7
[M+H-H2O]+ 319.093880 168.3
[M+HCOO]- 381.094821 184.0
[M+CH3COO]- 395.110471 185.2
[M+Na-2H]- 357.071286 175.2
[M]+ 336.09607142 181.3
[M]- 336.09716858 181.3
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.