CID 503384

Gw 715x

Structural Information

Molecular Formula
C17H20FNO2
SMILES
CC(C)C1=C(C2=C(C=CC(=C2)F)NC1=O)OCC3CCC3
InChI
InChI=1S/C17H20FNO2/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
BUDUBWDZWAOGLF-UHFFFAOYSA-N
Compound name
4-(cyclobutylmethoxy)-6-fluoro-3-propan-2-yl-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

289.1478 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.15508 166.4
[M+Na]+ 312.13702 173.2
[M-H]- 288.14052 169.7
[M+NH4]+ 307.18162 174.9
[M+K]+ 328.11096 171.5
[M+H-H2O]+ 272.14506 152.5
[M+HCOO]- 334.14600 182.0
[M+CH3COO]- 348.16165 205.4
[M+Na-2H]- 310.12247 167.8
[M]+ 289.14725 174.1
[M]- 289.14835 174.1
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