CID 6482682

Schembl4992156

Structural Information

Molecular Formula
C19H17ClFN5
SMILES
C1CN(CCN1C2=CC=NC=C2)C3=NC(=CN=C3)C4=CC(=C(C=C4)F)Cl
InChI
InChI=1S/C19H17ClFN5/c20-16-11-14(1-2-17(16)21)18-12-23-13-19(24-18)26-9-7-25(8-10-26)15-3-5-22-6-4-15/h1-6,11-13H,7-10H2
InChIKey
PZSPSMJSXQYPGO-UHFFFAOYSA-N
Compound name
2-(3-chloro-4-fluorophenyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

369.11566 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.12294 188.9
[M+Na]+ 392.10488 197.0
[M-H]- 368.10838 192.2
[M+NH4]+ 387.14948 193.8
[M+K]+ 408.07882 187.4
[M+H-H2O]+ 352.11292 173.2
[M+HCOO]- 414.11386 196.4
[M+CH3COO]- 428.12951 195.9
[M+Na-2H]- 390.09033 191.6
[M]+ 369.11511 184.8
[M]- 369.11621 184.8
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