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]+ 279.087656 162.5
[M+Na]+ 301.069598 174.1
[M-H]- 277.073104 164.0
[M+NH4]+ 296.114203 173.1
[M+K]+ 317.043538 167.0
[M+H-H2O]+ 261.077640 145.3
[M+HCOO]- 323.078581 178.5
[M+CH3COO]- 337.094231 171.9
[M+Na-2H]- 299.055046 169.6
[M]+ 278.07983142 159.0
[M]- 278.08092858 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.