CID 6482918

Schembl4997068

Structural Information

Molecular Formula
C19H19N3O
SMILES
C1CN(CCC1C2=CC=CC=C2)C3=NC(=CN=C3)C4=COC=C4
InChI
InChI=1S/C19H19N3O/c1-2-4-15(5-3-1)16-6-9-22(10-7-16)19-13-20-12-18(21-19)17-8-11-23-14-17/h1-5,8,11-14,16H,6-7,9-10H2
InChIKey
MGIWFOLMJXLSOF-UHFFFAOYSA-N
Compound name
2-(furan-3-yl)-6-(4-phenylpiperidin-1-yl)pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

305.1528 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.16008 171.9
[M+Na]+ 328.14202 177.7
[M-H]- 304.14552 180.4
[M+NH4]+ 323.18662 181.8
[M+K]+ 344.11596 172.9
[M+H-H2O]+ 288.15006 159.9
[M+HCOO]- 350.15100 188.7
[M+CH3COO]- 364.16665 181.7
[M+Na-2H]- 326.12747 174.7
[M]+ 305.15225 168.0
[M]- 305.15335 168.0
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.