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]+ 339.181576 182.0
[M+Na]+ 361.163518 189.7
[M-H]- 337.167024 186.6
[M+NH4]+ 356.208123 192.5
[M+K]+ 377.137458 185.0
[M+H-H2O]+ 321.171560 170.2
[M+HCOO]- 383.172501 202.2
[M+CH3COO]- 397.188151 217.7
[M+Na-2H]- 359.148966 188.2
[M]+ 338.17375142 186.5
[M]- 338.17484858 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.