CID 174050

Chinoin 123

Structural Information

Molecular Formula
C14H18N2O5
SMILES
CCOC(=O)C1=CN=C2C(CCC(N2C1=O)C)CC(=O)O
InChI
InChI=1S/C14H18N2O5/c1-3-21-14(20)10-7-15-12-9(6-11(17)18)5-4-8(2)16(12)13(10)19/h7-9H,3-6H2,1-2H3,(H,17,18)
InChIKey
IRGLQUMAHASUTG-UHFFFAOYSA-N
Compound name
2-(3-ethoxycarbonyl-6-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

21
Patents

294.12158 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.12886 164.4
[M+Na]+ 317.11080 172.1
[M-H]- 293.11430 164.8
[M+NH4]+ 312.15540 177.6
[M+K]+ 333.08474 169.7
[M+H-H2O]+ 277.11884 156.8
[M+HCOO]- 339.11978 179.6
[M+CH3COO]- 353.13543 201.6
[M+Na-2H]- 315.09625 166.0
[M]+ 294.12103 166.6
[M]- 294.12213 166.6
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

No patent data available for this compound.