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
7
Annotation Hits

330
References

10510
Patents

303.13315 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.14043 173.7
[M+Na]+ 326.12237 181.4
[M-H]- 302.12587 171.8
[M+NH4]+ 321.16697 181.1
[M+K]+ 342.09631 175.4
[M+H-H2O]+ 286.13041 163.0
[M+HCOO]- 348.13135 183.4
[M+CH3COO]- 362.14700 181.3
[M+Na-2H]- 324.10782 176.8
[M]+ 303.13260 169.9
[M]- 303.13370 169.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe