CID 8768162

7-methyl-4-oxo-4h-pyrido[1,2-a]pyrimidine-3-carboxylic acid

Structural Information

Molecular Formula
C10H8N2O3
SMILES
CC1=CN2C(=NC=C(C2=O)C(=O)O)C=C1
InChI
InChI=1S/C10H8N2O3/c1-6-2-3-8-11-4-7(10(14)15)9(13)12(8)5-6/h2-5H,1H3,(H,14,15)
InChIKey
KVQXDUFCTSBBCB-UHFFFAOYSA-N
Compound name
7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

204.0535 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.060776 139.7
[M+Na]+ 227.042718 150.7
[M-H]- 203.046224 141.3
[M+NH4]+ 222.087323 156.8
[M+K]+ 243.016658 147.4
[M+H-H2O]+ 187.050760 132.7
[M+HCOO]- 249.051701 159.7
[M+CH3COO]- 263.067351 183.6
[M+Na-2H]- 225.028166 147.0
[M]+ 204.05295142 141.4
[M]- 204.05404858 141.4
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