CID 3070242

Brn 6002066

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]+ 368.165676 188.0
[M+Na]+ 390.147618 197.3
[M-H]- 366.151124 197.2
[M+NH4]+ 385.192223 200.7
[M+K]+ 406.121558 192.4
[M+H-H2O]+ 350.155660 177.7
[M+HCOO]- 412.156601 205.9
[M+CH3COO]- 426.172251 198.7
[M+Na-2H]- 388.133066 187.7
[M]+ 367.15785142 189.7
[M]- 367.15894858 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.