CID 214572

Mz-215

Structural Information

Molecular Formula
C15H23N2O3
SMILES
CCCCOC(=O)C1=C[N+](=C2CCCC(N2C1=O)C)C
InChI
InChI=1S/C15H23N2O3/c1-4-5-9-20-15(19)12-10-16(3)13-8-6-7-11(2)17(13)14(12)18/h10-11H,4-9H2,1-3H3/q+1
InChIKey
ISMRUNFIJYDZCF-UHFFFAOYSA-N
Compound name
butyl 1,6-dimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-1-ium-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.17087 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.17815 166.3
[M+Na]+ 302.16009 174.2
[M-H]- 278.16359 168.2
[M+NH4]+ 297.20469 181.0
[M+K]+ 318.13403 165.6
[M+H-H2O]+ 262.16813 161.0
[M+HCOO]- 324.16907 182.8
[M+CH3COO]- 338.18472 195.2
[M+Na-2H]- 300.14554 171.1
[M]+ 279.17032 167.7
[M]- 279.17142 167.7
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.