CID 214560

Dtxsid70874457

Structural Information

Molecular Formula
C13H18N2O3
SMILES
CCCOC(=O)C1=CN=C2CCCC(N2C1=O)C
InChI
InChI=1S/C13H18N2O3/c1-3-7-18-13(17)10-8-14-11-6-4-5-9(2)15(11)12(10)16/h8-9H,3-7H2,1-2H3
InChIKey
FCCHWXLTLTTYRR-UHFFFAOYSA-N
Compound name
propyl 6-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

250.13174 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.139016 156.1
[M+Na]+ 273.120958 164.1
[M-H]- 249.124464 157.6
[M+NH4]+ 268.165563 171.9
[M+K]+ 289.094898 161.4
[M+H-H2O]+ 233.129000 148.1
[M+HCOO]- 295.129941 173.6
[M+CH3COO]- 309.145591 195.1
[M+Na-2H]- 271.106406 160.1
[M]+ 250.13119142 157.7
[M]- 250.13228858 157.7
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

patents stripe