CID 6482846

Schembl4991687

Structural Information

Molecular Formula
C22H22F2N4O
SMILES
CCOC1=CC=C(C=C1)C2=CN=CC(=N2)N3CCN(CC3)C4=C(C=C(C=C4)F)F
InChI
InChI=1S/C22H22F2N4O/c1-2-29-18-6-3-16(4-7-18)20-14-25-15-22(26-20)28-11-9-27(10-12-28)21-8-5-17(23)13-19(21)24/h3-8,13-15H,2,9-12H2,1H3
InChIKey
VZTWKAJAYWIJCI-UHFFFAOYSA-N
Compound name
2-[4-(2,4-difluorophenyl)piperazin-1-yl]-6-(4-ethoxyphenyl)pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

396.17618 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.18346 199.6
[M+Na]+ 419.16540 206.6
[M-H]- 395.16890 203.4
[M+NH4]+ 414.21000 204.2
[M+K]+ 435.13934 198.1
[M+H-H2O]+ 379.17344 183.4
[M+HCOO]- 441.17438 211.4
[M+CH3COO]- 455.19003 206.2
[M+Na-2H]- 417.15085 199.8
[M]+ 396.17563 194.6
[M]- 396.17673 194.6
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