CID 211404

23026-54-2

Structural Information

Molecular Formula
C21H26FNO3
SMILES
COC1=CC=CC=C1OC2CCN(C2)CCCCOC3=CC=C(C=C3)F
InChI
InChI=1S/C21H26FNO3/c1-24-20-6-2-3-7-21(20)26-19-12-14-23(16-19)13-4-5-15-25-18-10-8-17(22)9-11-18/h2-3,6-11,19H,4-5,12-16H2,1H3
InChIKey
UNHJSTWALKWRTH-UHFFFAOYSA-N
Compound name
1-[4-(4-fluorophenoxy)butyl]-3-(2-methoxyphenoxy)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

359.18967 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.196946 186.3
[M+Na]+ 382.178888 191.4
[M-H]- 358.182394 192.5
[M+NH4]+ 377.223493 198.9
[M+K]+ 398.152828 186.9
[M+H-H2O]+ 342.186930 175.4
[M+HCOO]- 404.187871 205.7
[M+CH3COO]- 418.203521 214.0
[M+Na-2H]- 380.164336 185.5
[M]+ 359.18912142 187.9
[M]- 359.19021858 187.9
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.