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 178.9
[M+Na]+ 362.11114 187.5
[M-H]- 338.11464 182.5
[M+NH4]+ 357.15574 188.8
[M+K]+ 378.08508 183.0
[M+H-H2O]+ 322.11918 167.7
[M+HCOO]- 384.12012 197.5
[M+CH3COO]- 398.13577 210.3
[M+Na-2H]- 360.09659 184.8
[M]+ 339.12137 184.0
[M]- 339.12247 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.