CID 207238

29465-17-6

Structural Information

Molecular Formula
C17H21F3N2OS
SMILES
CN(C)CCCN1C2=C(COCC2)C3=C1C=C(C=C3)SC(F)(F)F
InChI
InChI=1S/C17H21F3N2OS/c1-21(2)7-3-8-22-15-6-9-23-11-14(15)13-5-4-12(10-16(13)22)24-17(18,19)20/h4-5,10H,3,6-9,11H2,1-2H3
InChIKey
YQSBWVADWDRSNP-UHFFFAOYSA-N
Compound name
N,N-dimethyl-3-[7-(trifluoromethylsulfanyl)-3,4-dihydro-1H-pyrano[4,3-b]indol-5-yl]propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.13266 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.13994 181.1
[M+Na]+ 381.12188 189.5
[M+NH4]+ 376.16648 187.3
[M+K]+ 397.09582 183.2
[M-H]- 357.12538 180.5
[M+Na-2H]- 379.10733 182.5
[M]+ 358.13211 182.4
[M]- 358.13321 182.4
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.