CID 204980

Brn 0711013

Structural Information

Molecular Formula
C22H27FN2O2
SMILES
COC1=CC=CC=C1N2CCN(CC2)CCCCC(=O)C3=CC=C(C=C3)F
InChI
InChI=1S/C22H27FN2O2/c1-27-22-8-3-2-6-20(22)25-16-14-24(15-17-25)13-5-4-7-21(26)18-9-11-19(23)12-10-18/h2-3,6,8-12H,4-5,7,13-17H2,1H3
InChIKey
GUUKHMNMVMAJEM-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-5-[4-(2-methoxyphenyl)piperazin-1-yl]pentan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.20566 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.21294 193.9
[M+Na]+ 393.19488 206.6
[M+NH4]+ 388.23948 200.1
[M+K]+ 409.16882 198.0
[M-H]- 369.19838 197.4
[M+Na-2H]- 391.18033 201.0
[M]+ 370.20511 196.6
[M]- 370.20621 196.6
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.