CID 6482961

Schembl4997411

Structural Information

Molecular Formula
C19H20N4O2
SMILES
COC1=CC=CC(=C1)N2CCN(CC2)C3=NC(=CN=C3)C4=COC=C4
InChI
InChI=1S/C19H20N4O2/c1-24-17-4-2-3-16(11-17)22-6-8-23(9-7-22)19-13-20-12-18(21-19)15-5-10-25-14-15/h2-5,10-14H,6-9H2,1H3
InChIKey
MZTKMEPWHAHWJG-UHFFFAOYSA-N
Compound name
2-(furan-3-yl)-6-[4-(3-methoxyphenyl)piperazin-1-yl]pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

336.15863 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.16591 180.2
[M+Na]+ 359.14785 186.6
[M-H]- 335.15135 187.6
[M+NH4]+ 354.19245 187.5
[M+K]+ 375.12179 182.1
[M+H-H2O]+ 319.15589 167.3
[M+HCOO]- 381.15683 195.6
[M+CH3COO]- 395.17248 189.2
[M+Na-2H]- 357.13330 182.0
[M]+ 336.15808 178.4
[M]- 336.15918 178.4
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