CID 160232

Beta-hydroxypiromidic acid

Structural Information

Molecular Formula
C14H16N4O4
SMILES
CCN1C=C(C(=O)C2=CN=C(N=C21)N3CCC(C3)O)C(=O)O
InChI
InChI=1S/C14H16N4O4/c1-2-17-7-10(13(21)22)11(20)9-5-15-14(16-12(9)17)18-4-3-8(19)6-18/h5,7-8,19H,2-4,6H2,1H3,(H,21,22)
InChIKey
HJNSPHISXXJAOR-UHFFFAOYSA-N
Compound name
8-ethyl-2-(3-hydroxypyrrolidin-1-yl)-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

304.11716 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.12444 170.1
[M+Na]+ 327.10638 181.7
[M+NH4]+ 322.15098 174.5
[M+K]+ 343.08032 179.7
[M-H]- 303.10988 169.3
[M+Na-2H]- 325.09183 172.8
[M]+ 304.11661 171.1
[M]- 304.11771 171.1
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