CID 4831

Pipemidic acid

Structural Information

Molecular Formula

C₁₄H₁₇N₅O₃

SMILES

CCN1C=C(C(=O)C2=CN=C(N=C21)N3CCNCC3)C(=O)O

InChI

InChI=1S/C14H17N5O3/c1-2-18-8-10(13(21)22)11(20)9-7-16-14(17-12(9)18)19-5-3-15-4-6-19/h7-8,15H,2-6H2,1H3,(H,21,22)

InChIKey

JOHZPMXAZQZXHR-UHFFFAOYSA-N

Compound name

8-ethyl-5-oxo-2-piperazin-1-ylpyrido[2,3-d]pyrimidine-6-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 330
References: 12155
Patents: 303.13315 Da
Monoisotopic Mass: -2.1
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]+	304.140426	173.7
[M+Na]+	326.122368	181.4
[M-H]-	302.125874	171.8
[M+NH4]+	321.166973	181.1
[M+K]+	342.096308	175.4
[M+H-H2O]+	286.130410	163.0
[M+HCOO]-	348.131351	183.4
[M+CH3COO]-	362.147001	181.3
[M+Na-2H]-	324.107816	176.8
[M]+	303.13260142	169.9
[M]-	303.13369858	169.9

Literature stripe

literature stripe

Patent stripe

patents stripe