CID 6482743

Schembl4996129

Structural Information

Molecular Formula
C26H23FN4
SMILES
C1CN(CCN1C2=CC=CC=C2)C3=NC(=CN=C3)C4=CC(=C(C=C4)C5=CC=CC=C5)F
InChI
InChI=1S/C26H23FN4/c27-24-17-21(11-12-23(24)20-7-3-1-4-8-20)25-18-28-19-26(29-25)31-15-13-30(14-16-31)22-9-5-2-6-10-22/h1-12,17-19H,13-16H2
InChIKey
ZHHCKPRNHTYIOS-UHFFFAOYSA-N
Compound name
2-(3-fluoro-4-phenylphenyl)-6-(4-phenylpiperazin-1-yl)pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

410.19067 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.19795 204.6
[M+Na]+ 433.17989 210.1
[M-H]- 409.18339 211.7
[M+NH4]+ 428.22449 207.5
[M+K]+ 449.15383 199.8
[M+H-H2O]+ 393.18793 187.6
[M+HCOO]- 455.18887 216.7
[M+CH3COO]- 469.20452 210.5
[M+Na-2H]- 431.16534 206.3
[M]+ 410.19012 197.1
[M]- 410.19122 197.1
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.