CID 6482788

Schembl5003086

Structural Information

Molecular Formula
C20H16ClF3N4
SMILES
C1CN(CCN1C2=C(C=C(C=C2)F)F)C3=NC(=CN=C3)C4=CC(=C(C=C4)F)Cl
InChI
InChI=1S/C20H16ClF3N4/c21-15-9-13(1-3-16(15)23)18-11-25-12-20(26-18)28-7-5-27(6-8-28)19-4-2-14(22)10-17(19)24/h1-4,9-12H,5-8H2
InChIKey
GOKXVIOCGUMYNL-UHFFFAOYSA-N
Compound name
2-(3-chloro-4-fluorophenyl)-6-[4-(2,4-difluorophenyl)piperazin-1-yl]pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

404.10156 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.10884 196.3
[M+Na]+ 427.09078 206.0
[M-H]- 403.09428 198.9
[M+NH4]+ 422.13538 201.7
[M+K]+ 443.06472 195.6
[M+H-H2O]+ 387.09882 179.7
[M+HCOO]- 449.09976 202.8
[M+CH3COO]- 463.11541 203.2
[M+Na-2H]- 425.07623 195.5
[M]+ 404.10101 191.1
[M]- 404.10211 191.1
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.