CID 6482919

Schembl4997566

Structural Information

Molecular Formula
C22H22FN3O
SMILES
COC1=C(C=C(C=C1)C2=CN=CC(=N2)N3CCC(CC3)C4=CC=CC=C4)F
InChI
InChI=1S/C22H22FN3O/c1-27-21-8-7-18(13-19(21)23)20-14-24-15-22(25-20)26-11-9-17(10-12-26)16-5-3-2-4-6-16/h2-8,13-15,17H,9-12H2,1H3
InChIKey
LMUVWKAPZBULGU-UHFFFAOYSA-N
Compound name
2-(3-fluoro-4-methoxyphenyl)-6-(4-phenylpiperidin-1-yl)pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

363.17468 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.18196 190.5
[M+Na]+ 386.16390 196.6
[M-H]- 362.16740 196.7
[M+NH4]+ 381.20850 197.6
[M+K]+ 402.13784 189.1
[M+H-H2O]+ 346.17194 176.0
[M+HCOO]- 408.17288 204.9
[M+CH3COO]- 422.18853 198.3
[M+Na-2H]- 384.14935 192.2
[M]+ 363.17413 185.6
[M]- 363.17523 185.6
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