CID 3049853

1-piperazinecarboxamide, n-ethyl-4-(2-(4-(4-fluorophenyl)-1-piperazinyl)ethyl)-

Structural Information

Molecular Formula
C19H30FN5O
SMILES
CCNC(=O)N1CCN(CC1)CCN2CCN(CC2)C3=CC=C(C=C3)F
InChI
InChI=1S/C19H30FN5O/c1-2-21-19(26)25-15-11-23(12-16-25)8-7-22-9-13-24(14-10-22)18-5-3-17(20)4-6-18/h3-6H,2,7-16H2,1H3,(H,21,26)
InChIKey
JTWNSJAEFAFONX-UHFFFAOYSA-N
Compound name
N-ethyl-4-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]piperazine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.24344 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.25072 192.8
[M+Na]+ 386.23266 194.3
[M-H]- 362.23616 193.4
[M+NH4]+ 381.27726 198.5
[M+K]+ 402.20660 188.7
[M+H-H2O]+ 346.24070 178.9
[M+HCOO]- 408.24164 201.9
[M+CH3COO]- 422.25729 217.8
[M+Na-2H]- 384.21811 191.1
[M]+ 363.24289 183.7
[M]- 363.24399 183.7
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.