CID 6482848

Schembl4991986

Structural Information

Molecular Formula
C20H20N4O2
SMILES
CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C3=NC(=CN=C3)C4=COC=C4
InChI
InChI=1S/C20H20N4O2/c1-15(25)16-2-4-18(5-3-16)23-7-9-24(10-8-23)20-13-21-12-19(22-20)17-6-11-26-14-17/h2-6,11-14H,7-10H2,1H3
InChIKey
XVDRIRGUCJNCLA-UHFFFAOYSA-N
Compound name
1-[4-[4-[6-(furan-3-yl)pyrazin-2-yl]piperazin-1-yl]phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

348.15863 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.16591 183.7
[M+Na]+ 371.14785 189.7
[M-H]- 347.15135 191.3
[M+NH4]+ 366.19245 190.5
[M+K]+ 387.12179 184.9
[M+H-H2O]+ 331.15589 171.0
[M+HCOO]- 393.15683 198.1
[M+CH3COO]- 407.17248 192.3
[M+Na-2H]- 369.13330 184.1
[M]+ 348.15808 181.1
[M]- 348.15918 181.1
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.