CID 513275

Schembl755546

Structural Information

Molecular Formula
C21H14FNO4
SMILES
C1=CC=NC(=C1)C2=C(C(=O)C3=C(O2)C=CC=C3OCC4=CC=C(C=C4)F)O
InChI
InChI=1S/C21H14FNO4/c22-14-9-7-13(8-10-14)12-26-16-5-3-6-17-18(16)19(24)20(25)21(27-17)15-4-1-2-11-23-15/h1-11,25H,12H2
InChIKey
FCADJVVKTWLHBB-UHFFFAOYSA-N
Compound name
5-[(4-fluorophenyl)methoxy]-3-hydroxy-2-pyridin-2-ylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

363.0907 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.09798 184.6
[M+Na]+ 386.07992 194.9
[M-H]- 362.08342 192.8
[M+NH4]+ 381.12452 194.4
[M+K]+ 402.05386 189.8
[M+H-H2O]+ 346.08796 172.9
[M+HCOO]- 408.08890 203.3
[M+CH3COO]- 422.10455 195.2
[M+Na-2H]- 384.06537 190.0
[M]+ 363.09015 187.0
[M]- 363.09125 187.0
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

patents stripe