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]+ 412.19188 200.8
[M+Na]+ 434.17382 208.1
[M-H]- 410.17732 208.8
[M+NH4]+ 429.21842 211.0
[M+K]+ 450.14776 204.1
[M+H-H2O]+ 394.18186 188.1
[M+HCOO]- 456.18280 215.6
[M+CH3COO]- 470.19845 209.5
[M+Na-2H]- 432.15927 203.0
[M]+ 411.18405 202.0
[M]- 411.18515 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.