CID 503383

Gw 046x

Structural Information

Molecular Formula
C18H22FNO2
SMILES
CCC(C)C1=C(C2=C(C=CC(=C2)F)NC1=O)OCC3CCC3
InChI
InChI=1S/C18H22FNO2/c1-3-11(2)16-17(22-10-12-5-4-6-12)14-9-13(19)7-8-15(14)20-18(16)21/h7-9,11-12H,3-6,10H2,1-2H3,(H,20,21)
InChIKey
CLBMHUDBSAWWMN-UHFFFAOYSA-N
Compound name
3-butan-2-yl-4-(cyclobutylmethoxy)-6-fluoro-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

303.16345 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.17073 171.1
[M+Na]+ 326.15267 177.5
[M-H]- 302.15617 174.3
[M+NH4]+ 321.19727 179.1
[M+K]+ 342.12661 175.6
[M+H-H2O]+ 286.16071 157.0
[M+HCOO]- 348.16165 186.3
[M+CH3COO]- 362.17730 208.3
[M+Na-2H]- 324.13812 171.9
[M]+ 303.16290 179.2
[M]- 303.16400 179.2
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