CID 132306

140841-32-3

Structural Information

Molecular Formula
C23H24FNO4
SMILES
CN1C2=C(C=CC1=O)C=C(C=C2)COC3=CC(=CC(=C3)C4(CCOCC4)OC)F
InChI
InChI=1S/C23H24FNO4/c1-25-21-5-3-16(11-17(21)4-6-22(25)26)15-29-20-13-18(12-19(24)14-20)23(27-2)7-9-28-10-8-23/h3-6,11-14H,7-10,15H2,1-2H3
InChIKey
SLZBEPLWGGRZAY-UHFFFAOYSA-N
Compound name
6-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]-1-methylquinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

26
References

689
Patents

397.16895 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.17623 196.3
[M+Na]+ 420.15817 204.1
[M-H]- 396.16167 204.5
[M+NH4]+ 415.20277 207.2
[M+K]+ 436.13211 200.3
[M+H-H2O]+ 380.16621 183.8
[M+HCOO]- 442.16715 211.5
[M+CH3COO]- 456.18280 205.5
[M+Na-2H]- 418.14362 199.1
[M]+ 397.16840 197.2
[M]- 397.16950 197.2
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