CID 3070241

86073-56-5

Structural Information

Molecular Formula
C22H24FNO3
SMILES
CCN(CC)CC1=C(C=CC2=C1OC(=C(C2=O)C)C3=CC=C(C=C3)F)OC
InChI
InChI=1S/C22H24FNO3/c1-5-24(6-2)13-18-19(26-4)12-11-17-20(25)14(3)21(27-22(17)18)15-7-9-16(23)10-8-15/h7-12H,5-6,13H2,1-4H3
InChIKey
BMZNWXXQDLWOCN-UHFFFAOYSA-N
Compound name
8-(diethylaminomethyl)-2-(4-fluorophenyl)-7-methoxy-3-methylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.174 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.18128 190.4
[M+Na]+ 392.16322 199.8
[M-H]- 368.16672 199.3
[M+NH4]+ 387.20782 203.4
[M+K]+ 408.13716 196.8
[M+H-H2O]+ 352.17126 180.1
[M+HCOO]- 414.17220 211.8
[M+CH3COO]- 428.18785 227.2
[M+Na-2H]- 390.14867 192.4
[M]+ 369.17345 196.8
[M]- 369.17455 196.8
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.