CID 6338068

5-(2-(dimethylamino)ethyl)-1,3,4,5-tetrahydrothiopyrano(4,3-b)indole monohydrochloride

Structural Information

Molecular Formula
C15H19N2OS
SMILES
CN(C)CC[N+]1(C2C=COC=C2C3=CC=CC=C31)S
InChI
InChI=1S/C15H19N2OS/c1-16(2)8-9-17(19)14-6-4-3-5-12(14)13-11-18-10-7-15(13)17/h3-7,10-11,15,19H,8-9H2,1-2H3/q+1
InChIKey
VRYSRSFJNZZNSA-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-(5-sulfanyl-4aH-pyrano[4,3-b]indol-5-ium-5-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.1218 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.12908 156.7
[M+Na]+ 298.11102 171.6
[M+NH4]+ 293.15562 169.6
[M+K]+ 314.08496 162.7
[M-H]- 274.11452 163.8
[M+Na-2H]- 296.09647 164.6
[M]+ 275.12125 162.0
[M]- 275.12235 162.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.