CID 13268984

79333-31-6

Structural Information

Molecular Formula

C₁₂H₁₉N₃O₄

SMILES

CCCC(CCCC1=C(N=C(NC1=O)N)O)C(=O)O

InChI

InChI=1S/C12H19N3O4/c1-2-4-7(11(18)19)5-3-6-8-9(16)14-12(13)15-10(8)17/h7H,2-6H2,1H3,(H,18,19)(H4,13,14,15,16,17)

InChIKey

HRBUOJWEUDYCSY-UHFFFAOYSA-N

Compound name

5-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-2-propylpentanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 269.13754 Da
Monoisotopic Mass: 0.7
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]+	270.144816	162.4
[M+Na]+	292.126758	168.8
[M-H]-	268.130264	159.0
[M+NH4]+	287.171363	173.7
[M+K]+	308.100698	165.0
[M+H-H2O]+	252.134800	154.9
[M+HCOO]-	314.135741	178.4
[M+CH3COO]-	328.151391	195.2
[M+Na-2H]-	290.112206	162.3
[M]+	269.13699142	161.2
[M]-	269.13808858	161.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.