CID 214560

33484-40-1

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

0
Patents

250.13174 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.13902 156.1
[M+Na]+ 273.12096 164.1
[M-H]- 249.12446 157.6
[M+NH4]+ 268.16556 171.9
[M+K]+ 289.09490 161.4
[M+H-H2O]+ 233.12900 148.1
[M+HCOO]- 295.12994 173.6
[M+CH3COO]- 309.14559 195.1
[M+Na-2H]- 271.10641 160.1
[M]+ 250.13119 157.7
[M]- 250.13229 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

No patent data available for this compound.