CID 4855

Piromidic acid

Structural Information

Molecular Formula
C14H16N4O3
SMILES
CCN1C=C(C(=O)C2=CN=C(N=C21)N3CCCC3)C(=O)O
InChI
InChI=1S/C14H16N4O3/c1-2-17-8-10(13(20)21)11(19)9-7-15-14(16-12(9)17)18-5-3-4-6-18/h7-8H,2-6H2,1H3,(H,20,21)
InChIKey
RCIMBBZXSXFZBV-UHFFFAOYSA-N
Compound name
8-ethyl-5-oxo-2-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

58
References

5023
Patents

288.12225 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.12953 166.3
[M+Na]+ 311.11147 178.6
[M+NH4]+ 306.15607 171.6
[M+K]+ 327.08541 175.5
[M-H]- 287.11497 166.4
[M+Na-2H]- 309.09692 170.3
[M]+ 288.12170 167.7
[M]- 288.12280 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

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Patent stripe

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