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 180.8
[M+Na]+ 364.13195 191.1
[M-H]- 340.13545 190.1
[M+NH4]+ 359.17655 195.0
[M+K]+ 380.10589 188.5
[M+H-H2O]+ 324.13999 170.9
[M+HCOO]- 386.14093 202.9
[M+CH3COO]- 400.15658 221.3
[M+Na-2H]- 362.11740 184.0
[M]+ 341.14218 186.6
[M]- 341.14328 186.6
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.