CID 3056113

2,3,4,9-tetrahydro-n-methyl-7-(trifluoromethyl)thiopyrano(2,3-b)indole-4-methylamine hcl

Structural Information

Molecular Formula
C14H15F3N2S
SMILES
CNCC1CCSC2=C1C3=C(N2)C=C(C=C3)C(F)(F)F
InChI
InChI=1S/C14H15F3N2S/c1-18-7-8-4-5-20-13-12(8)10-3-2-9(14(15,16)17)6-11(10)19-13/h2-3,6,8,18-19H,4-5,7H2,1H3
InChIKey
FTENBVDTKGJQDR-UHFFFAOYSA-N
Compound name
N-methyl-1-[7-(trifluoromethyl)-2,3,4,9-tetrahydrothiopyrano[2,3-b]indol-4-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.0908 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.09808 161.7
[M+Na]+ 323.08002 171.2
[M-H]- 299.08352 160.7
[M+NH4]+ 318.12462 179.7
[M+K]+ 339.05396 164.4
[M+H-H2O]+ 283.08806 153.6
[M+HCOO]- 345.08900 172.2
[M+CH3COO]- 359.10465 171.9
[M+Na-2H]- 321.06547 164.5
[M]+ 300.09025 158.5
[M]- 300.09135 158.5
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.