CID 122527

29766-64-1

Structural Information

Molecular Formula
C12H18N2O3
SMILES
CCOC(=O)C1=CNC2CCCC(N2C1=O)C
InChI
InChI=1S/C12H18N2O3/c1-3-17-12(16)9-7-13-10-6-4-5-8(2)14(10)11(9)15/h7-8,10,13H,3-6H2,1-2H3
InChIKey
LRNCBUQKZLZXAV-UHFFFAOYSA-N
Compound name
ethyl 6-methyl-4-oxo-1,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrimidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

238.13174 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.13902 155.0
[M+Na]+ 261.12096 161.0
[M-H]- 237.12446 154.5
[M+NH4]+ 256.16556 170.4
[M+K]+ 277.09490 158.2
[M+H-H2O]+ 221.12900 147.6
[M+HCOO]- 283.12994 168.4
[M+CH3COO]- 297.14559 190.4
[M+Na-2H]- 259.10641 157.1
[M]+ 238.13119 151.6
[M]- 238.13229 151.6
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