CID 114018

2-(3-dimethylaminopropoxy)-3-phenyl-4h-pyrazino(1,2-a)pyrimidin-4-one hydrobromide

Structural Information

Molecular Formula
C18H20N4O2
SMILES
CN(C)CCCOC1=C(C(=O)N2C=CN=CC2=N1)C3=CC=CC=C3
InChI
InChI=1S/C18H20N4O2/c1-21(2)10-6-12-24-17-16(14-7-4-3-5-8-14)18(23)22-11-9-19-13-15(22)20-17/h3-5,7-9,11,13H,6,10,12H2,1-2H3
InChIKey
YNHXSCJFMUKNKP-UHFFFAOYSA-N
Compound name
2-[3-(dimethylamino)propoxy]-3-phenylpyrazino[1,2-a]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.15863 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.16591 177.5
[M+Na]+ 347.14785 185.7
[M-H]- 323.15135 182.3
[M+NH4]+ 342.19245 188.6
[M+K]+ 363.12179 181.2
[M+H-H2O]+ 307.15589 165.9
[M+HCOO]- 369.15683 198.1
[M+CH3COO]- 383.17248 214.8
[M+Na-2H]- 345.13330 184.3
[M]+ 324.15808 181.7
[M]- 324.15918 181.7
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.