CID 205690

18472-23-6

Structural Information

Molecular Formula
C18H17N3O4
SMILES
CCOC(=O)C(C)OC1=C(C(=O)N2C=CN=CC2=N1)C3=CC=CC=C3
InChI
InChI=1S/C18H17N3O4/c1-3-24-18(23)12(2)25-16-15(13-7-5-4-6-8-13)17(22)21-10-9-19-11-14(21)20-16/h4-12H,3H2,1-2H3
InChIKey
AZQOYOOXFMMBLI-UHFFFAOYSA-N
Compound name
ethyl 2-(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

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.12920 178.5
[M+Na]+ 362.11114 186.8
[M-H]- 338.11464 182.2
[M+NH4]+ 357.15574 188.3
[M+K]+ 378.08508 182.9
[M+H-H2O]+ 322.11918 167.5
[M+HCOO]- 384.12012 196.1
[M+CH3COO]- 398.13577 211.2
[M+Na-2H]- 360.09659 183.3
[M]+ 339.12137 183.0
[M]- 339.12247 183.0
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.