CID 210529

21271-30-7

Structural Information

Molecular Formula
C17H15N3O4
SMILES
CCOC(=O)COC1=C(C(=O)N2C=CN=CC2=N1)C3=CC=CC=C3
InChI
InChI=1S/C17H15N3O4/c1-2-23-14(21)11-24-16-15(12-6-4-3-5-7-12)17(22)20-9-8-18-10-13(20)19-16/h3-10H,2,11H2,1H3
InChIKey
ARHMMTVEFGNEJY-UHFFFAOYSA-N
Compound name
ethyl 2-(4-oxo-3-phenylpyrazino[1,2-a]pyrimidin-2-yl)oxyacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.10626 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.11354 174.4
[M+Na]+ 348.09548 183.5
[M-H]- 324.09898 178.2
[M+NH4]+ 343.14008 184.9
[M+K]+ 364.06942 179.2
[M+H-H2O]+ 308.10352 163.4
[M+HCOO]- 370.10446 193.3
[M+CH3COO]- 384.12011 207.4
[M+Na-2H]- 346.08093 180.8
[M]+ 325.10571 179.1
[M]- 325.10681 179.1
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.