CID 87666

18472-19-0

Structural Information

Molecular Formula
C15H10N4O2
SMILES
C1=CC=C(C=C1)C2=C(N=C3C=NC=CN3C2=O)OCC#N
InChI
InChI=1S/C15H10N4O2/c16-6-9-21-14-13(11-4-2-1-3-5-11)15(20)19-8-7-17-10-12(19)18-14/h1-5,7-8,10H,9H2
InChIKey
CLNUGORKXQHKSB-UHFFFAOYSA-N
Compound name
2-(4-oxo-3-phenylpyrazino[1,2-a]pyrimidin-2-yl)oxyacetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.08038 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.08766 162.5
[M+Na]+ 301.06960 174.1
[M-H]- 277.07310 164.0
[M+NH4]+ 296.11420 173.1
[M+K]+ 317.04354 167.0
[M+H-H2O]+ 261.07764 145.3
[M+HCOO]- 323.07858 178.5
[M+CH3COO]- 337.09423 171.9
[M+Na-2H]- 299.05505 169.6
[M]+ 278.07983 159.0
[M]- 278.08093 159.0
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.