CID 6482657

Schembl4997537

Structural Information

Molecular Formula
C19H18FN5
SMILES
C1CN(CCN1C2=CC=NC=C2)C3=NC(=CN=C3)C4=CC(=CC=C4)F
InChI
InChI=1S/C19H18FN5/c20-16-3-1-2-15(12-16)18-13-22-14-19(23-18)25-10-8-24(9-11-25)17-4-6-21-7-5-17/h1-7,12-14H,8-11H2
InChIKey
BULCDPUJSWVAMV-UHFFFAOYSA-N
Compound name
2-(3-fluorophenyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

335.15463 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.16191 183.4
[M+Na]+ 358.14385 190.0
[M-H]- 334.14735 186.8
[M+NH4]+ 353.18845 188.6
[M+K]+ 374.11779 181.5
[M+H-H2O]+ 318.15189 167.8
[M+HCOO]- 380.15283 195.7
[M+CH3COO]- 394.16848 190.6
[M+Na-2H]- 356.12930 187.4
[M]+ 335.15408 176.7
[M]- 335.15518 176.7
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

patents stripe