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]+ 325.165906 177.5
[M+Na]+ 347.147848 185.7
[M-H]- 323.151354 182.3
[M+NH4]+ 342.192453 188.6
[M+K]+ 363.121788 181.2
[M+H-H2O]+ 307.155890 165.9
[M+HCOO]- 369.156831 198.1
[M+CH3COO]- 383.172481 214.8
[M+Na-2H]- 345.133296 184.3
[M]+ 324.15808142 181.7
[M]- 324.15917858 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.