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 182.8
[M+Na]+ 364.16832 188.5
[M-H]- 340.17182 189.1
[M+NH4]+ 359.21292 196.3
[M+K]+ 380.14226 182.7
[M+H-H2O]+ 324.17636 172.1
[M+HCOO]- 386.17730 202.2
[M+CH3COO]- 400.19295 210.6
[M+Na-2H]- 362.15377 181.9
[M]+ 341.17855 182.1
[M]- 341.17965 182.1
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.