CID 121087

Piperazine, 1-(3,4-dimethoxyphenethyl)-4-(o-fluorophenyl)-

Structural Information

Molecular Formula
C20H25FN2O2
SMILES
COC1=C(C=C(C=C1)CCN2CCN(CC2)C3=CC=CC=C3F)OC
InChI
InChI=1S/C20H25FN2O2/c1-24-19-8-7-16(15-20(19)25-2)9-10-22-11-13-23(14-12-22)18-6-4-3-5-17(18)21/h3-8,15H,9-14H2,1-2H3
InChIKey
GPXKMNIDKFNKIO-UHFFFAOYSA-N
Compound name
1-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2-fluorophenyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.19 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.19728 184.7
[M+Na]+ 367.17922 190.4
[M-H]- 343.18272 189.4
[M+NH4]+ 362.22382 194.9
[M+K]+ 383.15316 185.2
[M+H-H2O]+ 327.18726 172.4
[M+HCOO]- 389.18820 200.5
[M+CH3COO]- 403.20385 213.5
[M+Na-2H]- 365.16467 185.2
[M]+ 344.18945 183.0
[M]- 344.19055 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.