CID 210531

21271-36-3

Structural Information

Molecular Formula
C18H17N3O4
SMILES
CCOC(=O)CCOC1=C(C(=O)N2C=CN=CC2=N1)C3=CC=CC=C3
InChI
InChI=1S/C18H17N3O4/c1-2-24-15(22)8-11-25-17-16(13-6-4-3-5-7-13)18(23)21-10-9-19-12-14(21)20-17/h3-7,9-10,12H,2,8,11H2,1H3
InChIKey
OWYKTCYALBVFTH-UHFFFAOYSA-N
Compound name
ethyl 3-(4-oxo-3-phenylpyrazino[1,2-a]pyrimidin-2-yl)oxypropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.12192 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.12920 178.5
[M+Na]+ 362.11114 193.8
[M+NH4]+ 357.15574 184.2
[M+K]+ 378.08508 186.7
[M-H]- 338.11464 180.7
[M+Na-2H]- 360.09659 186.1
[M]+ 339.12137 181.2
[M]- 339.12247 181.2
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.