CID 89476

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

Structural Information

Molecular Formula
C19H22N4O2
SMILES
CC(CN(C)C)COC1=C(C(=O)N2C=CN=CC2=N1)C3=CC=CC=C3
InChI
InChI=1S/C19H22N4O2/c1-14(12-22(2)3)13-25-18-17(15-7-5-4-6-8-15)19(24)23-10-9-20-11-16(23)21-18/h4-11,14H,12-13H2,1-3H3
InChIKey
JDWZBFFMBZOTMP-UHFFFAOYSA-N
Compound name
2-[3-(dimethylamino)-2-methylpropoxy]-3-phenylpyrazino[1,2-a]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.1743 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.18158 181.8
[M+Na]+ 361.16352 189.3
[M-H]- 337.16702 186.6
[M+NH4]+ 356.20812 192.3
[M+K]+ 377.13746 185.1
[M+H-H2O]+ 321.17156 170.3
[M+HCOO]- 383.17250 201.1
[M+CH3COO]- 397.18815 218.6
[M+Na-2H]- 359.14897 187.0
[M]+ 338.17375 185.8
[M]- 338.17485 185.8
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.