CID 214588

Mz-170

Structural Information

Molecular Formula
C13H22N2O3
SMILES
CCOC(=O)C1CN(C2CCCC(N2C1=O)C)C
InChI
InChI=1S/C13H22N2O3/c1-4-18-13(17)10-8-14(3)11-7-5-6-9(2)15(11)12(10)16/h9-11H,4-8H2,1-3H3
InChIKey
HGVRNDCUBSOXSG-UHFFFAOYSA-N
Compound name
ethyl 1,6-dimethyl-4-oxo-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrimidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.16304 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.17032 160.3
[M+Na]+ 277.15226 166.1
[M-H]- 253.15576 161.0
[M+NH4]+ 272.19686 175.9
[M+K]+ 293.12620 164.2
[M+H-H2O]+ 237.16030 152.7
[M+HCOO]- 299.16124 173.3
[M+CH3COO]- 313.17689 197.6
[M+Na-2H]- 275.13771 160.6
[M]+ 254.16249 158.0
[M]- 254.16359 158.0
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

patents stripe