CID 113715

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

Structural Information

Molecular Formula
C20H22N4O2
SMILES
CCC1CCCN(C1)OC2=C(C(=O)N3C=CN=CC3=N2)C4=CC=CC=C4
InChI
InChI=1S/C20H22N4O2/c1-2-15-7-6-11-23(14-15)26-19-18(16-8-4-3-5-9-16)20(25)24-12-10-21-13-17(24)22-19/h3-5,8-10,12-13,15H,2,6-7,11,14H2,1H3
InChIKey
FIGZNKWAYAJSBR-UHFFFAOYSA-N
Compound name
2-(3-ethylpiperidin-1-yl)oxy-3-phenylpyrazino[1,2-a]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.1743 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.18158 187.3
[M+Na]+ 373.16352 194.3
[M-H]- 349.16702 191.5
[M+NH4]+ 368.20812 194.9
[M+K]+ 389.13746 187.5
[M+H-H2O]+ 333.17156 173.8
[M+HCOO]- 395.17250 200.9
[M+CH3COO]- 409.18815 195.3
[M+Na-2H]- 371.14897 191.3
[M]+ 350.17375 185.3
[M]- 350.17485 185.3
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.