CID 6482774

Schembl5003046

Structural Information

Molecular Formula
C22H23FN4O
SMILES
CCOC1=CC=C(C=C1)C2=CN=CC(=N2)N3CCN(CC3)C4=CC=CC=C4F
InChI
InChI=1S/C22H23FN4O/c1-2-28-18-9-7-17(8-10-18)20-15-24-16-22(25-20)27-13-11-26(12-14-27)21-6-4-3-5-19(21)23/h3-10,15-16H,2,11-14H2,1H3
InChIKey
UNFHMBASXGHFFB-UHFFFAOYSA-N
Compound name
2-(4-ethoxyphenyl)-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

378.18558 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.19286 195.3
[M+Na]+ 401.17480 201.3
[M-H]- 377.17830 200.0
[M+NH4]+ 396.21940 200.3
[M+K]+ 417.14874 193.3
[M+H-H2O]+ 361.18284 179.9
[M+HCOO]- 423.18378 208.2
[M+CH3COO]- 437.19943 202.2
[M+Na-2H]- 399.16025 196.9
[M]+ 378.18503 190.8
[M]- 378.18613 190.8
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.