CID 3049854

65274-88-6

Structural Information

Molecular Formula
C23H30FN5O
SMILES
C1CN(CCN1CCN2CCN(CC2)C(=O)NC3=CC=CC=C3)C4=CC=C(C=C4)F
InChI
InChI=1S/C23H30FN5O/c24-20-6-8-22(9-7-20)28-16-12-26(13-17-28)10-11-27-14-18-29(19-15-27)23(30)25-21-4-2-1-3-5-21/h1-9H,10-19H2,(H,25,30)
InChIKey
HASPOEMVBFMMCN-UHFFFAOYSA-N
Compound name
4-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-N-phenylpiperazine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

411.24344 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.25072 203.7
[M+Na]+ 434.23266 215.0
[M+NH4]+ 429.27726 208.9
[M+K]+ 450.20660 207.0
[M-H]- 410.23616 208.3
[M+Na-2H]- 432.21811 211.0
[M]+ 411.24289 206.2
[M]- 411.24399 206.2
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.