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]+ 340.129196 178.9
[M+Na]+ 362.111138 187.5
[M-H]- 338.114644 182.5
[M+NH4]+ 357.155743 188.8
[M+K]+ 378.085078 183.0
[M+H-H2O]+ 322.119180 167.7
[M+HCOO]- 384.120121 197.5
[M+CH3COO]- 398.135771 210.3
[M+Na-2H]- 360.096586 184.8
[M]+ 339.12137142 184.0
[M]- 339.12246858 184.0
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.