CID 88846

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

Structural Information

Molecular Formula
C19H22N4O2
SMILES
CCN(CC)CCOC1=C(C(=O)N2C=CN=CC2=N1)C3=CC=CC=C3
InChI
InChI=1S/C19H22N4O2/c1-3-22(4-2)12-13-25-18-17(15-8-6-5-7-9-15)19(24)23-11-10-20-14-16(23)21-18/h5-11,14H,3-4,12-13H2,1-2H3
InChIKey
CRZMMBZDIKMRER-UHFFFAOYSA-N
Compound name
2-[2-(diethylamino)ethoxy]-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

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.18158 182.0
[M+Na]+ 361.16352 189.7
[M-H]- 337.16702 186.6
[M+NH4]+ 356.20812 192.5
[M+K]+ 377.13746 185.0
[M+H-H2O]+ 321.17156 170.2
[M+HCOO]- 383.17250 202.2
[M+CH3COO]- 397.18815 217.7
[M+Na-2H]- 359.14897 188.2
[M]+ 338.17375 186.5
[M]- 338.17485 186.5
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.