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 203.0
[M+Na]+ 434.23266 203.8
[M-H]- 410.23616 206.2
[M+NH4]+ 429.27726 205.9
[M+K]+ 450.20660 196.4
[M+H-H2O]+ 394.24070 187.3
[M+HCOO]- 456.24164 211.8
[M+CH3COO]- 470.25729 207.1
[M+Na-2H]- 432.21811 201.8
[M]+ 411.24289 192.4
[M]- 411.24399 192.4
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.