CID 3070242

4'-fluoro-7-methoxy-3-methyl-8-(1-pyrrolidinylmethyl)flavone

Structural Information

Molecular Formula
C22H22FNO3
SMILES
CC1=C(OC2=C(C1=O)C=CC(=C2CN3CCCC3)OC)C4=CC=C(C=C4)F
InChI
InChI=1S/C22H22FNO3/c1-14-20(25)17-9-10-19(26-2)18(13-24-11-3-4-12-24)22(17)27-21(14)15-5-7-16(23)8-6-15/h5-10H,3-4,11-13H2,1-2H3
InChIKey
UEWGMFWSPRBISG-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-7-methoxy-3-methyl-8-(pyrrolidin-1-ylmethyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.1584 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.16568 190.3
[M+Na]+ 390.14762 205.5
[M+NH4]+ 385.19222 197.8
[M+K]+ 406.12156 198.7
[M-H]- 366.15112 196.3
[M+Na-2H]- 388.13307 196.7
[M]+ 367.15785 194.2
[M]- 367.15895 194.2
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.