CID 503390

Gw 319x

Structural Information

Molecular Formula
C17H20FNOS
SMILES
CC(C)C1=C(C2=C(C=CC(=C2)F)NC1=O)SCC3CCC3
InChI
InChI=1S/C17H20FNOS/c1-10(2)15-16(21-9-11-4-3-5-11)13-8-12(18)6-7-14(13)19-17(15)20/h6-8,10-11H,3-5,9H2,1-2H3,(H,19,20)
InChIKey
IKWDCVKEPWHUEJ-UHFFFAOYSA-N
Compound name
4-(cyclobutylmethylsulfanyl)-6-fluoro-3-propan-2-yl-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.12497 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.13225 166.1
[M+Na]+ 328.11419 172.4
[M-H]- 304.11769 169.0
[M+NH4]+ 323.15879 174.4
[M+K]+ 344.08813 169.5
[M+H-H2O]+ 288.12223 152.0
[M+HCOO]- 350.12317 176.3
[M+CH3COO]- 364.13882 206.8
[M+Na-2H]- 326.09964 165.0
[M]+ 305.12442 174.6
[M]- 305.12552 174.6
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.