CID 6482874

Schembl4997084

Structural Information

Molecular Formula
C21H21FN4
SMILES
CC1=CC(=CC=C1)C2=CN=CC(=N2)N3CCN(CC3)C4=CC=C(C=C4)F
InChI
InChI=1S/C21H21FN4/c1-16-3-2-4-17(13-16)20-14-23-15-21(24-20)26-11-9-25(10-12-26)19-7-5-18(22)6-8-19/h2-8,13-15H,9-12H2,1H3
InChIKey
ZMVAYMQFJWDCQO-UHFFFAOYSA-N
Compound name
2-[4-(4-fluorophenyl)piperazin-1-yl]-6-(3-methylphenyl)pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

348.17502 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.18230 188.1
[M+Na]+ 371.16424 194.8
[M-H]- 347.16774 193.0
[M+NH4]+ 366.20884 194.5
[M+K]+ 387.13818 186.3
[M+H-H2O]+ 331.17228 173.1
[M+HCOO]- 393.17322 201.2
[M+CH3COO]- 407.18887 195.6
[M+Na-2H]- 369.14969 190.2
[M]+ 348.17447 182.0
[M]- 348.17557 182.0
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