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]+ 326.113536 174.4
[M+Na]+ 348.095478 183.5
[M-H]- 324.098984 178.2
[M+NH4]+ 343.140083 184.9
[M+K]+ 364.069418 179.2
[M+H-H2O]+ 308.103520 163.4
[M+HCOO]- 370.104461 193.3
[M+CH3COO]- 384.120111 207.4
[M+Na-2H]- 346.080926 180.8
[M]+ 325.10571142 179.1
[M]- 325.10680858 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.