CID 6482765

Schembl4996840

Structural Information

Molecular Formula
C18H18N4O
SMILES
C1CN(CCN1C2=CC=CC=C2)C3=NC(=CN=C3)C4=COC=C4
InChI
InChI=1S/C18H18N4O/c1-2-4-16(5-3-1)21-7-9-22(10-8-21)18-13-19-12-17(20-18)15-6-11-23-14-15/h1-6,11-14H,7-10H2
InChIKey
BSKNVPPETUJDGH-UHFFFAOYSA-N
Compound name
2-(furan-3-yl)-6-(4-phenylpiperazin-1-yl)pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

306.14807 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.15535 172.1
[M+Na]+ 329.13729 178.3
[M-H]- 305.14079 179.2
[M+NH4]+ 324.18189 180.5
[M+K]+ 345.11123 173.3
[M+H-H2O]+ 289.14533 159.3
[M+HCOO]- 351.14627 187.7
[M+CH3COO]- 365.16192 181.4
[M+Na-2H]- 327.12274 175.1
[M]+ 306.14752 168.2
[M]- 306.14862 168.2
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