CID 3056861

Lu 12-312

Structural Information

Molecular Formula
C20H17F4NS
SMILES
CN1CCC(=C2C3=C(C=C(C=C3)F)SC4=C2C=C(C=C4)C(F)(F)F)CC1
InChI
InChI=1S/C20H17F4NS/c1-25-8-6-12(7-9-25)19-15-4-3-14(21)11-18(15)26-17-5-2-13(10-16(17)19)20(22,23)24/h2-5,10-11H,6-9H2,1H3
InChIKey
BREQUYTUFSOAMH-UHFFFAOYSA-N
Compound name
4-[6-fluoro-2-(trifluoromethyl)thioxanthen-9-ylidene]-1-methylpiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

379.10178 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.10906 184.4
[M+Na]+ 402.09100 194.0
[M+NH4]+ 397.13560 190.6
[M+K]+ 418.06494 184.9
[M-H]- 378.09450 183.6
[M+Na-2H]- 400.07645 187.5
[M]+ 379.10123 185.8
[M]- 379.10233 185.8
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

patents stripe