CID 6482783

Schembl4992856

Structural Information

Molecular Formula
C22H23FN4O2
SMILES
COC1=C(C=C(C=C1)C2=CN=CC(=N2)N3CCN(CC3)C4=CC=C(C=C4)F)OC
InChI
InChI=1S/C22H23FN4O2/c1-28-20-8-3-16(13-21(20)29-2)19-14-24-15-22(25-19)27-11-9-26(10-12-27)18-6-4-17(23)5-7-18/h3-8,13-15H,9-12H2,1-2H3
InChIKey
QYFHMHAJTUTNGM-UHFFFAOYSA-N
Compound name
2-(3,4-dimethoxyphenyl)-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

394.1805 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.18778 199.2
[M+Na]+ 417.16972 205.9
[M-H]- 393.17322 204.4
[M+NH4]+ 412.21432 203.8
[M+K]+ 433.14366 198.7
[M+H-H2O]+ 377.17776 183.8
[M+HCOO]- 439.17870 212.2
[M+CH3COO]- 453.19435 206.2
[M+Na-2H]- 415.15517 200.1
[M]+ 394.17995 196.5
[M]- 394.18105 196.5
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