CID 3070240

Brn 5988948

Structural Information

Molecular Formula
C20H20FNO3
SMILES
CC1=C(OC2=C(C1=O)C=CC(=C2CN(C)C)OC)C3=CC=C(C=C3)F
InChI
InChI=1S/C20H20FNO3/c1-12-18(23)15-9-10-17(24-4)16(11-22(2)3)20(15)25-19(12)13-5-7-14(21)8-6-13/h5-10H,11H2,1-4H3
InChIKey
OKHBMCHTIXFPOE-UHFFFAOYSA-N
Compound name
8-[(dimethylamino)methyl]-2-(4-fluorophenyl)-7-methoxy-3-methylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.14273 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.15001 181.4
[M+Na]+ 364.13195 197.1
[M+NH4]+ 359.17655 189.1
[M+K]+ 380.10589 189.1
[M-H]- 340.13545 187.4
[M+Na-2H]- 362.11740 188.5
[M]+ 341.14218 185.6
[M]- 341.14328 185.6
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

No patent data available for this compound.