CID 503389

Gw 811x

Structural Information

Molecular Formula
C17H20FNOS
SMILES
CCCC1=C(C2=C(C=CC(=C2)F)NC1=O)SCC3CCC3
InChI
InChI=1S/C17H20FNOS/c1-2-4-13-16(21-10-11-5-3-6-11)14-9-12(18)7-8-15(14)19-17(13)20/h7-9,11H,2-6,10H2,1H3,(H,19,20)
InChIKey
MEKVIMSKMDNPMK-UHFFFAOYSA-N
Compound name
4-(cyclobutylmethylsulfanyl)-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 164.4
[M+Na]+ 328.11419 171.2
[M-H]- 304.11769 167.4
[M+NH4]+ 323.15879 173.0
[M+K]+ 344.08813 167.8
[M+H-H2O]+ 288.12223 150.3
[M+HCOO]- 350.12317 175.8
[M+CH3COO]- 364.13882 206.0
[M+Na-2H]- 326.09964 164.6
[M]+ 305.12442 173.6
[M]- 305.12552 173.6
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.