CID 210528

21271-28-3

Structural Information

Molecular Formula
C21H24N4O2
SMILES
C1CCCN(CC1)CCOC2=C(C(=O)N3C=CN=CC3=N2)C4=CC=CC=C4
InChI
InChI=1S/C21H24N4O2/c26-21-19(17-8-4-3-5-9-17)20(23-18-16-22-10-13-25(18)21)27-15-14-24-11-6-1-2-7-12-24/h3-5,8-10,13,16H,1-2,6-7,11-12,14-15H2
InChIKey
HKAQLOULHKCDDL-UHFFFAOYSA-N
Compound name
2-[2-(azepan-1-yl)ethoxy]-3-phenylpyrazino[1,2-a]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.1899 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.19718 190.4
[M+Na]+ 387.17912 195.8
[M-H]- 363.18262 195.5
[M+NH4]+ 382.22372 197.0
[M+K]+ 403.15306 193.5
[M+H-H2O]+ 347.18716 177.0
[M+HCOO]- 409.18810 203.7
[M+CH3COO]- 423.20375 197.6
[M+Na-2H]- 385.16457 194.2
[M]+ 364.18935 185.7
[M]- 364.19045 185.7
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.