CID 200426

Brn 0574229

Structural Information

Molecular Formula
C21H27FN2O2
SMILES
COC1=CC=CC=C1N2CCN(CC2)CCCCOC3=CC=C(C=C3)F
InChI
InChI=1S/C21H27FN2O2/c1-25-21-7-3-2-6-20(21)24-15-13-23(14-16-24)12-4-5-17-26-19-10-8-18(22)9-11-19/h2-3,6-11H,4-5,12-17H2,1H3
InChIKey
LBTYJJUTDNCITA-UHFFFAOYSA-N
Compound name
1-[4-(4-fluorophenoxy)butyl]-4-(2-methoxyphenyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

358.20566 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.21294 188.7
[M+Na]+ 381.19488 192.9
[M-H]- 357.19838 192.7
[M+NH4]+ 376.23948 197.9
[M+K]+ 397.16882 187.4
[M+H-H2O]+ 341.20292 175.9
[M+HCOO]- 403.20386 204.0
[M+CH3COO]- 417.21951 215.2
[M+Na-2H]- 379.18033 189.4
[M]+ 358.20511 186.8
[M]- 358.20621 186.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.