CID 6444982

1-(4-(p-fluorophenyl)-3-butenyl)-3-(o-methoxyphenoxy)-pyrrolidine maleate (1:1)

Structural Information

Molecular Formula
C21H24FNO2
SMILES
COC1=CC=CC=C1OC2CCN(C2)CC/C=C/C3=CC=C(C=C3)F
InChI
InChI=1S/C21H24FNO2/c1-24-20-7-2-3-8-21(20)25-19-13-15-23(16-19)14-5-4-6-17-9-11-18(22)12-10-17/h2-4,6-12,19H,5,13-16H2,1H3/b6-4+
InChIKey
GSTPZRQMPZZMAE-GQCTYLIASA-N
Compound name
1-[(E)-4-(4-fluorophenyl)but-3-enyl]-3-(2-methoxyphenoxy)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.1791 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.18638 186.6
[M+Na]+ 364.16832 199.0
[M+NH4]+ 359.21292 193.7
[M+K]+ 380.14226 191.6
[M-H]- 340.17182 190.3
[M+Na-2H]- 362.15377 193.6
[M]+ 341.17855 189.3
[M]- 341.17965 189.3
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.