CID 210530

21271-35-2

Structural Information

Molecular Formula
C19H19N3O4
SMILES
CCC(C(=O)OCC)OC1=C(C(=O)N2C=CN=CC2=N1)C3=CC=CC=C3
InChI
InChI=1S/C19H19N3O4/c1-3-14(19(24)25-4-2)26-17-16(13-8-6-5-7-9-13)18(23)22-11-10-20-12-15(22)21-17/h5-12,14H,3-4H2,1-2H3
InChIKey
LVLSCICZUSWWCN-UHFFFAOYSA-N
Compound name
ethyl 2-(4-oxo-3-phenylpyrazino[1,2-a]pyrimidin-2-yl)oxybutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.13754 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.14482 182.0
[M+Na]+ 376.12676 196.7
[M+NH4]+ 371.17136 187.4
[M+K]+ 392.10070 190.2
[M-H]- 352.13026 183.9
[M+Na-2H]- 374.11221 189.1
[M]+ 353.13699 184.6
[M]- 353.13809 184.6
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.