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

7
Annotation Hits: 58
References: 5151
Patents: 288.12225 Da
Monoisotopic Mass: 1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	289.12953	166.6
[M+Na]+	311.11147	175.5
[M-H]-	287.11497	168.0
[M+NH4]+	306.15607	178.8
[M+K]+	327.08541	170.9
[M+H-H2O]+	271.11951	157.0
[M+HCOO]-	333.12045	181.6
[M+CH3COO]-	347.13610	199.2
[M+Na-2H]-	309.09692	168.2
[M]+	288.12170	166.3
[M]-	288.12280	166.3

Literature stripe

literature stripe

Patent stripe

patents stripe