CID 6482837

2-(3-fluorophenyl)-6-(4-phenylpiperazin-1-yl)pyrazine

Structural Information

Molecular Formula
C20H19FN4
SMILES
C1CN(CCN1C2=CC=CC=C2)C3=NC(=CN=C3)C4=CC(=CC=C4)F
InChI
InChI=1S/C20H19FN4/c21-17-6-4-5-16(13-17)19-14-22-15-20(23-19)25-11-9-24(10-12-25)18-7-2-1-3-8-18/h1-8,13-15H,9-12H2
InChIKey
YGVRQXWCXSDFDM-UHFFFAOYSA-N
Compound name
2-(3-fluorophenyl)-6-(4-phenylpiperazin-1-yl)pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

334.15936 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.16664 182.7
[M+Na]+ 357.14858 188.9
[M-H]- 333.15208 187.4
[M+NH4]+ 352.19318 189.4
[M+K]+ 373.12252 180.7
[M+H-H2O]+ 317.15662 167.7
[M+HCOO]- 379.15756 196.2
[M+CH3COO]- 393.17321 190.3
[M+Na-2H]- 355.13403 186.2
[M]+ 334.15881 175.9
[M]- 334.15991 175.9
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.