CID 6482775

Schembl4997577

Structural Information

Molecular Formula
C26H22F2N4
SMILES
C1CN(CCN1C2=CC=CC=C2F)C3=NC(=CN=C3)C4=CC(=C(C=C4)C5=CC=CC=C5)F
InChI
InChI=1S/C26H22F2N4/c27-22-8-4-5-9-25(22)31-12-14-32(15-13-31)26-18-29-17-24(30-26)20-10-11-21(23(28)16-20)19-6-2-1-3-7-19/h1-11,16-18H,12-15H2
InChIKey
BRPXOYVZSKUFEK-UHFFFAOYSA-N
Compound name
2-(3-fluoro-4-phenylphenyl)-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

428.18124 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.18852 209.3
[M+Na]+ 451.17046 215.8
[M-H]- 427.17396 215.5
[M+NH4]+ 446.21506 211.7
[M+K]+ 467.14440 205.0
[M+H-H2O]+ 411.17850 191.4
[M+HCOO]- 473.17944 220.3
[M+CH3COO]- 487.19509 214.8
[M+Na-2H]- 449.15591 209.5
[M]+ 428.18069 201.4
[M]- 428.18179 201.4
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.