CID 448725

4-[(cyclopropylethynyl)oxy]-6-fluoro-3-isopropylquinolin-2(1h)-one

Structural Information

Molecular Formula
C17H16FNO2
SMILES
CC(C)C1=C(C2=C(C=CC(=C2)F)NC1=O)OC#CC3CC3
InChI
InChI=1S/C17H16FNO2/c1-10(2)15-16(21-8-7-11-3-4-11)13-9-12(18)5-6-14(13)19-17(15)20/h5-6,9-11H,3-4H2,1-2H3,(H,19,20)
InChIKey
YVJFHKQYMKKIHK-UHFFFAOYSA-N
Compound name
4-(2-cyclopropylethynoxy)-6-fluoro-3-propan-2-yl-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

285.11652 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.12380 161.7
[M+Na]+ 308.10574 178.6
[M-H]- 284.10924 165.8
[M+NH4]+ 303.15034 172.7
[M+K]+ 324.07968 167.3
[M+H-H2O]+ 268.11378 150.4
[M+HCOO]- 330.11472 176.3
[M+CH3COO]- 344.13037 208.3
[M+Na-2H]- 306.09119 164.9
[M]+ 285.11597 160.1
[M]- 285.11707 160.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe