CID 88848

21271-21-6

Structural Information

Molecular Formula
C17H18N4O2
SMILES
CN(C)CCOC1=C(C(=O)N2C=CN=CC2=N1)C3=CC=CC=C3
InChI
InChI=1S/C17H18N4O2/c1-20(2)10-11-23-16-15(13-6-4-3-5-7-13)17(22)21-9-8-18-12-14(21)19-16/h3-9,12H,10-11H2,1-2H3
InChIKey
VSPRROZPIHCZDO-UHFFFAOYSA-N
Compound name
2-[2-(dimethylamino)ethoxy]-3-phenylpyrazino[1,2-a]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

310.14297 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.15025 173.0
[M+Na]+ 333.13219 181.7
[M-H]- 309.13569 178.0
[M+NH4]+ 328.17679 184.7
[M+K]+ 349.10613 177.4
[M+H-H2O]+ 293.14023 161.7
[M+HCOO]- 355.14117 193.9
[M+CH3COO]- 369.15682 211.9
[M+Na-2H]- 331.11764 180.3
[M]+ 310.14242 176.9
[M]- 310.14352 176.9
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.