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 188.0
[M+Na]+ 390.14762 197.3
[M-H]- 366.15112 197.2
[M+NH4]+ 385.19222 200.7
[M+K]+ 406.12156 192.4
[M+H-H2O]+ 350.15566 177.7
[M+HCOO]- 412.15660 205.9
[M+CH3COO]- 426.17225 198.7
[M+Na-2H]- 388.13307 187.7
[M]+ 367.15785 189.7
[M]- 367.15895 189.7
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.