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 181.8
[M+Na]+ 368.16322 187.4
[M-H]- 344.16672 188.2
[M+NH4]+ 363.20782 195.0
[M+K]+ 384.13716 183.1
[M+H-H2O]+ 328.17126 171.1
[M+HCOO]- 390.17220 201.6
[M+CH3COO]- 404.18785 211.0
[M+Na-2H]- 366.14867 181.5
[M]+ 345.17345 183.0
[M]- 345.17455 183.0
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.