CID 54705321

Schembl14129796

Structural Information

Molecular Formula
C22H20FN3O4
SMILES
COCC1=C(C(=O)C(=C2N1CCN(C2=O)CC3=CC=C(C=C3)F)O)C4=CC=CC=N4
InChI
InChI=1S/C22H20FN3O4/c1-30-13-17-18(16-4-2-3-9-24-16)20(27)21(28)19-22(29)25(10-11-26(17)19)12-14-5-7-15(23)8-6-14/h2-9,28H,10-13H2,1H3
InChIKey
REINUBXFCNHTCY-UHFFFAOYSA-N
Compound name
2-[(4-fluorophenyl)methyl]-9-hydroxy-6-(methoxymethyl)-7-pyridin-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

409.1438 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.15108 200.3
[M+Na]+ 432.13302 209.5
[M-H]- 408.13652 204.5
[M+NH4]+ 427.17762 206.7
[M+K]+ 448.10696 202.4
[M+H-H2O]+ 392.14106 186.9
[M+HCOO]- 454.14200 213.8
[M+CH3COO]- 468.15765 208.2
[M+Na-2H]- 430.11847 201.2
[M]+ 409.14325 200.5
[M]- 409.14435 200.5
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.