CID 503386

Gw 616x

Structural Information

Molecular Formula
C17H20FNOS
SMILES
CCCC1=C(C2=C(C=CC(=C2)F)NC1=O)SC3CCCC3
InChI
InChI=1S/C17H20FNOS/c1-2-5-13-16(21-12-6-3-4-7-12)14-10-11(18)8-9-15(14)19-17(13)20/h8-10,12H,2-7H2,1H3,(H,19,20)
InChIKey
LGJBTFVBLXPJKZ-UHFFFAOYSA-N
Compound name
4-cyclopentylsulfanyl-6-fluoro-3-propyl-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.12497 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.13225 169.0
[M+Na]+ 328.11419 177.7
[M-H]- 304.11769 172.8
[M+NH4]+ 323.15879 186.0
[M+K]+ 344.08813 170.8
[M+H-H2O]+ 288.12223 161.5
[M+HCOO]- 350.12317 181.8
[M+CH3COO]- 364.13882 179.7
[M+Na-2H]- 326.09964 167.4
[M]+ 305.12442 168.5
[M]- 305.12552 168.5
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.