CID 87670

18472-24-7

Structural Information

Molecular Formula
C20H24N4O2
SMILES
CCN(CC)CCCOC1=C(C(=O)N2C=CN=CC2=N1)C3=CC=CC=C3
InChI
InChI=1S/C20H24N4O2/c1-3-23(4-2)12-8-14-26-19-18(16-9-6-5-7-10-16)20(25)24-13-11-21-15-17(24)22-19/h5-7,9-11,13,15H,3-4,8,12,14H2,1-2H3
InChIKey
ROEFGGYGECIPOE-UHFFFAOYSA-N
Compound name
2-[3-(diethylamino)propoxy]-3-phenylpyrazino[1,2-a]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.1899 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.19718 186.5
[M+Na]+ 375.17912 193.7
[M-H]- 351.18262 190.8
[M+NH4]+ 370.22372 196.4
[M+K]+ 391.15306 188.7
[M+H-H2O]+ 335.18716 174.4
[M+HCOO]- 397.18810 206.3
[M+CH3COO]- 411.20375 220.6
[M+Na-2H]- 373.16457 192.1
[M]+ 352.18935 191.3
[M]- 352.19045 191.3
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.