CID 6482785

Schembl5000715

Structural Information

Molecular Formula
C22H20F2N4O
SMILES
CC(=O)C1=CC=CC=C1C2=CN=CC(=N2)N3CCN(CC3)C4=C(C=C(C=C4)F)F
InChI
InChI=1S/C22H20F2N4O/c1-15(29)17-4-2-3-5-18(17)20-13-25-14-22(26-20)28-10-8-27(9-11-28)21-7-6-16(23)12-19(21)24/h2-7,12-14H,8-11H2,1H3
InChIKey
SDECPFQPKIELIO-UHFFFAOYSA-N
Compound name
1-[2-[6-[4-(2,4-difluorophenyl)piperazin-1-yl]pyrazin-2-yl]phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

394.16052 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.16780 198.0
[M+Na]+ 417.14974 205.0
[M-H]- 393.15324 202.0
[M+NH4]+ 412.19434 202.5
[M+K]+ 433.12368 196.5
[M+H-H2O]+ 377.15778 182.2
[M+HCOO]- 439.15872 209.1
[M+CH3COO]- 453.17437 204.6
[M+Na-2H]- 415.13519 197.2
[M]+ 394.15997 191.9
[M]- 394.16107 191.9
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

No patent data available for this compound.