CID 211413

1-(3-(p-fluorophenoxy)propyl)-3-(o-methoxyphenoxy)-1-pyrrolidine maleate (1:1)

Structural Information

Molecular Formula
C20H24FNO3
SMILES
COC1=CC=CC=C1OC2CCN(C2)CCCOC3=CC=C(C=C3)F
InChI
InChI=1S/C20H24FNO3/c1-23-19-5-2-3-6-20(19)25-18-11-13-22(15-18)12-4-14-24-17-9-7-16(21)8-10-17/h2-3,5-10,18H,4,11-15H2,1H3
InChIKey
MMWHXLOYHVSNRC-UHFFFAOYSA-N
Compound name
1-[3-(4-fluorophenoxy)propyl]-3-(2-methoxyphenoxy)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.174 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.18128 185.7
[M+Na]+ 368.16322 197.8
[M+NH4]+ 363.20782 192.6
[M+K]+ 384.13716 191.3
[M-H]- 344.16672 189.3
[M+Na-2H]- 366.14867 192.7
[M]+ 345.17345 188.3
[M]- 345.17455 188.3
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.