CID 3056134

9-isopropyl-n-methyl-2,3,4,9-tetrahydrothiopyrano(2,3-b)-4-methylamine hydrochloride

Structural Information

Molecular Formula
C16H22N2S
SMILES
CC(C)CN1C2=CC=CC=C2C3=C1SCCC3CN
InChI
InChI=1S/C16H22N2S/c1-11(2)10-18-14-6-4-3-5-13(14)15-12(9-17)7-8-19-16(15)18/h3-6,11-12H,7-10,17H2,1-2H3
InChIKey
WHGNXNKDXITVNY-UHFFFAOYSA-N
Compound name
[9-(2-methylpropyl)-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

274.15036 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.15764 162.3
[M+Na]+ 297.13958 174.3
[M+NH4]+ 292.18418 172.4
[M+K]+ 313.11352 166.2
[M-H]- 273.14308 166.1
[M+Na-2H]- 295.12503 166.6
[M]+ 274.14981 165.6
[M]- 274.15091 165.6
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.