CID 6482854

Schembl5000846

Structural Information

Molecular Formula
C20H17F3N4
SMILES
C1CN(CCN1C2=C(C=C(C=C2)F)F)C3=NC(=CN=C3)C4=CC(=CC=C4)F
InChI
InChI=1S/C20H17F3N4/c21-15-3-1-2-14(10-15)18-12-24-13-20(25-18)27-8-6-26(7-9-27)19-5-4-16(22)11-17(19)23/h1-5,10-13H,6-9H2
InChIKey
RTFQXSKINFNUKR-UHFFFAOYSA-N
Compound name
2-[4-(2,4-difluorophenyl)piperazin-1-yl]-6-(3-fluorophenyl)pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

370.14053 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.14781 191.2
[M+Na]+ 393.12975 199.5
[M-H]- 369.13325 194.0
[M+NH4]+ 388.17435 196.9
[M+K]+ 409.10369 190.1
[M+H-H2O]+ 353.13779 174.6
[M+HCOO]- 415.13873 202.5
[M+CH3COO]- 429.15438 198.3
[M+Na-2H]- 391.11520 191.7
[M]+ 370.13998 183.3
[M]- 370.14108 183.3
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