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

0
Patents

359.18967 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.19695 186.3
[M+Na]+ 382.17889 191.4
[M-H]- 358.18239 192.5
[M+NH4]+ 377.22349 198.9
[M+K]+ 398.15283 186.9
[M+H-H2O]+ 342.18693 175.4
[M+HCOO]- 404.18787 205.7
[M+CH3COO]- 418.20352 214.0
[M+Na-2H]- 380.16434 185.5
[M]+ 359.18912 187.9
[M]- 359.19022 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.