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: 50
Patents: 339.16345 Da
Monoisotopic Mass: 3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	340.170726	181.1
[M+Na]+	362.152668	188.0
[M-H]-	338.156174	189.2
[M+NH4]+	357.197273	194.4
[M+K]+	378.126608	183.3
[M+H-H2O]+	322.160710	170.7
[M+HCOO]-	384.161651	197.7
[M+CH3COO]-	398.177301	191.2
[M+Na-2H]-	360.138116	181.7
[M]+	339.16290142	179.5
[M]-	339.16399858	179.5

Literature stripe

literature stripe

Patent stripe

patents stripe