CID 9821498

S 16924

Structural Information

Molecular Formula
C22H24FNO4
SMILES
C1CN(CC1CC(=O)C2=CC=C(C=C2)F)CCOC3=CC=CC4=C3OCCO4
InChI
InChI=1S/C22H24FNO4/c23-18-6-4-17(5-7-18)19(25)14-16-8-9-24(15-16)10-11-26-20-2-1-3-21-22(20)28-13-12-27-21/h1-7,16H,8-15H2
InChIKey
DXBFVLGYPFUTEZ-UHFFFAOYSA-N
Compound name
2-[1-[2-(2,3-dihydro-1,4-benzodioxin-5-yloxy)ethyl]pyrrolidin-3-yl]-1-(4-fluorophenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

10
Patents

385.16895 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.176226 191.8
[M+Na]+ 408.158168 196.0
[M-H]- 384.161674 199.7
[M+NH4]+ 403.202773 201.1
[M+K]+ 424.132108 193.6
[M+H-H2O]+ 368.166210 181.3
[M+HCOO]- 430.167151 205.1
[M+CH3COO]- 444.182801 200.3
[M+Na-2H]- 406.143616 191.3
[M]+ 385.16840142 190.9
[M]- 385.16949858 190.9
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