CID 207240

29465-20-1

Structural Information

Molecular Formula
C16H19F3N2OS
SMILES
CN(C)CCN1C2=C(COCC2)C3=C1C=C(C=C3)SC(F)(F)F
InChI
InChI=1S/C16H19F3N2OS/c1-20(2)6-7-21-14-5-8-22-10-13(14)12-4-3-11(9-15(12)21)23-16(17,18)19/h3-4,9H,5-8,10H2,1-2H3
InChIKey
BSUYXYRZUHPEMV-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-[7-(trifluoromethylsulfanyl)-3,4-dihydro-1H-pyrano[4,3-b]indol-5-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.117 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.12428 176.2
[M+Na]+ 367.10622 185.3
[M-H]- 343.10972 178.3
[M+NH4]+ 362.15082 192.4
[M+K]+ 383.08016 181.9
[M+H-H2O]+ 327.11426 167.1
[M+HCOO]- 389.11520 187.3
[M+CH3COO]- 403.13085 215.5
[M+Na-2H]- 365.09167 178.2
[M]+ 344.11645 178.5
[M]- 344.11755 178.5
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.