CID 11948205

Schembl12155717

Structural Information

Molecular Formula
C23H17F2NO2
SMILES
C1=CC=C2C(=C1)C(=C(C(=O)N2)CC3=CC=C(C=C3)F)OCC4=CC=C(C=C4)F
InChI
InChI=1S/C23H17F2NO2/c24-17-9-5-15(6-10-17)13-20-22(28-14-16-7-11-18(25)12-8-16)19-3-1-2-4-21(19)26-23(20)27/h1-12H,13-14H2,(H,26,27)
InChIKey
LAKXWNPHPLVZMI-UHFFFAOYSA-N
Compound name
4-[(4-fluorophenyl)methoxy]-3-[(4-fluorophenyl)methyl]-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

377.12274 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.13002 190.0
[M+Na]+ 400.11196 199.5
[M-H]- 376.11546 195.5
[M+NH4]+ 395.15656 200.5
[M+K]+ 416.08590 190.9
[M+H-H2O]+ 360.12000 177.3
[M+HCOO]- 422.12094 207.4
[M+CH3COO]- 436.13659 199.3
[M+Na-2H]- 398.09741 193.0
[M]+ 377.12219 188.6
[M]- 377.12329 188.6
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

patents stripe