CID 3056136

4-(n-methylaminomethyl)-9-isopropyl-2,3,4,9-tetrahydrothiopyrano(2,3-b)indole hydrochloride

Structural Information

Molecular Formula
C17H24N2S
SMILES
CC(C)CCN1C2=CC=CC=C2C3=C1SCCC3CN
InChI
InChI=1S/C17H24N2S/c1-12(2)7-9-19-15-6-4-3-5-14(15)16-13(11-18)8-10-20-17(16)19/h3-6,12-13H,7-11,18H2,1-2H3
InChIKey
BRRRMECTFUIITL-UHFFFAOYSA-N
Compound name
[9-(3-methylbutyl)-3,4-dihydro-2H-thiopyrano[2,3-b]indol-4-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.16602 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.17330 167.3
[M+Na]+ 311.15524 175.1
[M-H]- 287.15874 170.6
[M+NH4]+ 306.19984 186.3
[M+K]+ 327.12918 169.5
[M+H-H2O]+ 271.16328 160.8
[M+HCOO]- 333.16422 181.2
[M+CH3COO]- 347.17987 178.1
[M+Na-2H]- 309.14069 167.6
[M]+ 288.16547 169.0
[M]- 288.16657 169.0
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.