CID 390349

Nsc687685

Structural Information

Molecular Formula
C17H22N4O3
SMILES
CCOC(=O)N1CCN(CC1)CC2=CC(=O)N3C=C(C=CC3=N2)C
InChI
InChI=1S/C17H22N4O3/c1-3-24-17(23)20-8-6-19(7-9-20)12-14-10-16(22)21-11-13(2)4-5-15(21)18-14/h4-5,10-11H,3,6-9,12H2,1-2H3
InChIKey
ARTOYGMMBKMGHU-UHFFFAOYSA-N
Compound name
ethyl 4-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.1692 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.17648 181.0
[M+Na]+ 353.15842 188.3
[M-H]- 329.16192 182.6
[M+NH4]+ 348.20302 190.2
[M+K]+ 369.13236 183.6
[M+H-H2O]+ 313.16646 169.7
[M+HCOO]- 375.16740 194.1
[M+CH3COO]- 389.18305 209.8
[M+Na-2H]- 351.14387 183.4
[M]+ 330.16865 181.0
[M]- 330.16975 181.0
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.