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]+ 337.10390 174.2
[M+Na]+ 359.08584 182.7
[M-H]- 335.08934 179.8
[M+NH4]+ 354.13044 190.9
[M+K]+ 375.05978 179.7
[M+H-H2O]+ 319.09388 168.3
[M+HCOO]- 381.09482 184.0
[M+CH3COO]- 395.11047 185.2
[M+Na-2H]- 357.07129 175.2
[M]+ 336.09607 181.3
[M]- 336.09717 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.