CID 89741565

Rg7800

Structural Information

Molecular Formula
C24H28N6O
SMILES
CCC1=NC(=CN2C1=CC(=N2)C3=CC(=O)N4C=C(C=C(C4=N3)C)C5CCN(CC5)C)C
InChI
InChI=1S/C24H28N6O/c1-5-19-22-11-21(27-30(22)13-16(3)25-19)20-12-23(31)29-14-18(10-15(2)24(29)26-20)17-6-8-28(4)9-7-17/h10-14,17H,5-9H2,1-4H3
InChIKey
GYFRQCMDLBNZSF-UHFFFAOYSA-N
Compound name
2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)-9-methyl-7-(1-methylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

74
Patents

416.23245 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.23973 212.5
[M+Na]+ 439.22167 223.5
[M-H]- 415.22517 216.7
[M+NH4]+ 434.26627 218.5
[M+K]+ 455.19561 213.8
[M+H-H2O]+ 399.22971 198.6
[M+HCOO]- 461.23065 223.3
[M+CH3COO]- 475.24630 219.6
[M+Na-2H]- 437.20712 210.9
[M]+ 416.23190 213.8
[M]- 416.23300 213.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe