CID 132998

155944-23-3

Structural Information

Molecular Formula
C24H26FNO4
SMILES
CCN1C2=C(C=CC1=O)C=C(C=C2)COC3=CC(=CC(=C3)C4(CCOCC4)OC)F
InChI
InChI=1S/C24H26FNO4/c1-3-26-22-6-4-17(12-18(22)5-7-23(26)27)16-30-21-14-19(13-20(25)15-21)24(28-2)8-10-29-11-9-24/h4-7,12-15H,3,8-11,16H2,1-2H3
InChIKey
ZROVOGSXAWNIQB-UHFFFAOYSA-N
Compound name
1-ethyl-6-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

17
References

15
Patents

411.1846 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.191876 200.8
[M+Na]+ 434.173818 208.1
[M-H]- 410.177324 208.8
[M+NH4]+ 429.218423 211.0
[M+K]+ 450.147758 204.1
[M+H-H2O]+ 394.181860 188.1
[M+HCOO]- 456.182801 215.6
[M+CH3COO]- 470.198451 209.5
[M+Na-2H]- 432.159266 203.0
[M]+ 411.18405142 202.0
[M]- 411.18514858 202.0
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