CID 3079107

Piperazine, 1-(4-fluorophenyl)-4-(3-pyridinylcarbonyl)-

Structural Information

Molecular Formula
C16H16FN3O
SMILES
C1CN(CCN1C2=CC=C(C=C2)F)C(=O)C3=CN=CC=C3
InChI
InChI=1S/C16H16FN3O/c17-14-3-5-15(6-4-14)19-8-10-20(11-9-19)16(21)13-2-1-7-18-12-13/h1-7,12H,8-11H2
InChIKey
LKDHAJBWSUABSQ-UHFFFAOYSA-N
Compound name
[4-(4-fluorophenyl)piperazin-1-yl]-pyridin-3-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

285.12775 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.13503 166.9
[M+Na]+ 308.11697 172.7
[M-H]- 284.12047 170.2
[M+NH4]+ 303.16157 177.4
[M+K]+ 324.09091 167.3
[M+H-H2O]+ 268.12501 154.5
[M+HCOO]- 330.12595 181.7
[M+CH3COO]- 344.14160 176.0
[M+Na-2H]- 306.10242 170.0
[M]+ 285.12720 160.8
[M]- 285.12830 160.8
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

patents stripe