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

7
Patents

310.14297 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.150246 173.0
[M+Na]+ 333.132188 181.7
[M-H]- 309.135694 178.0
[M+NH4]+ 328.176793 184.7
[M+K]+ 349.106128 177.4
[M+H-H2O]+ 293.140230 161.7
[M+HCOO]- 355.141171 193.9
[M+CH3COO]- 369.156821 211.9
[M+Na-2H]- 331.117636 180.3
[M]+ 310.14242142 176.9
[M]- 310.14351858 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.