CID 56949412

Ax-024

Structural Information

Molecular Formula
C21H22FNO2
SMILES
COC1=CC2=C(C=C1)OCC(=C2C3=CC=C(C=C3)F)CN4CCCC4
InChI
InChI=1S/C21H22FNO2/c1-24-18-8-9-20-19(12-18)21(15-4-6-17(22)7-5-15)16(14-25-20)13-23-10-2-3-11-23/h4-9,12H,2-3,10-11,13-14H2,1H3
InChIKey
VMMKGVRPILDZML-UHFFFAOYSA-N
Compound name
1-[[4-(4-fluorophenyl)-6-methoxy-2H-chromen-3-yl]methyl]pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

51
Patents

339.16345 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.17073 181.1
[M+Na]+ 362.15267 188.0
[M-H]- 338.15617 189.2
[M+NH4]+ 357.19727 194.4
[M+K]+ 378.12661 183.3
[M+H-H2O]+ 322.16071 170.7
[M+HCOO]- 384.16165 197.7
[M+CH3COO]- 398.17730 191.2
[M+Na-2H]- 360.13812 181.7
[M]+ 339.16290 179.5
[M]- 339.16400 179.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe