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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.14482 162.4
[M+Na]+ 292.12676 168.8
[M-H]- 268.13026 159.0
[M+NH4]+ 287.17136 173.7
[M+K]+ 308.10070 165.0
[M+H-H2O]+ 252.13480 154.9
[M+HCOO]- 314.13574 178.4
[M+CH3COO]- 328.15139 195.2
[M+Na-2H]- 290.11221 162.3
[M]+ 269.13699 161.2
[M]- 269.13809 161.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.