CID 6482911

Schembl5003003

Structural Information

Molecular Formula
C18H17FN4O
SMILES
C1CN(CCN1C2=CC=C(C=C2)F)C3=NC(=CN=C3)C4=COC=C4
InChI
InChI=1S/C18H17FN4O/c19-15-1-3-16(4-2-15)22-6-8-23(9-7-22)18-12-20-11-17(21-18)14-5-10-24-13-14/h1-5,10-13H,6-9H2
InChIKey
VJQHAOUTXUIQTQ-UHFFFAOYSA-N
Compound name
2-[4-(4-fluorophenyl)piperazin-1-yl]-6-(furan-3-yl)pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

324.13864 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.14592 176.1
[M+Na]+ 347.12786 183.3
[M-H]- 323.13136 182.3
[M+NH4]+ 342.17246 184.0
[M+K]+ 363.10180 177.7
[M+H-H2O]+ 307.13590 162.5
[M+HCOO]- 369.13684 190.7
[M+CH3COO]- 383.15249 185.1
[M+Na-2H]- 345.11331 177.7
[M]+ 324.13809 171.7
[M]- 324.13919 171.7
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