CID 3055764

Lu 14-089

Structural Information

Molecular Formula
C20H20FNS2
SMILES
CN1CCC(=C2C3=C(C=C(C=C3)F)SC4=C2C=C(C=C4)SC)CC1
InChI
InChI=1S/C20H20FNS2/c1-22-9-7-13(8-10-22)20-16-5-3-14(21)11-19(16)24-18-6-4-15(23-2)12-17(18)20/h3-6,11-12H,7-10H2,1-2H3
InChIKey
YQMPXFBJHRFSPM-UHFFFAOYSA-N
Compound name
4-(6-fluoro-2-methylsulfanylthioxanthen-9-ylidene)-1-methylpiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

357.1021 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.10938 175.8
[M+Na]+ 380.09132 183.9
[M-H]- 356.09482 180.0
[M+NH4]+ 375.13592 190.5
[M+K]+ 396.06526 175.4
[M+H-H2O]+ 340.09936 167.3
[M+HCOO]- 402.10030 179.8
[M+CH3COO]- 416.11595 184.6
[M+Na-2H]- 378.07677 175.7
[M]+ 357.10155 173.3
[M]- 357.10265 173.3
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