CID 24209057

882863-85-6

Structural Information

Molecular Formula
C11H15N3O5
SMILES
CC(=O)NC1=NC(=O)C(C(=O)N1)CCCCC(=O)O
InChI
InChI=1S/C11H15N3O5/c1-6(15)12-11-13-9(18)7(10(19)14-11)4-2-3-5-8(16)17/h7H,2-5H2,1H3,(H,16,17)(H2,12,13,14,15,18,19)
InChIKey
PKEQSGHRSSSKFF-UHFFFAOYSA-N
Compound name
5-(2-acetamido-4,6-dioxo-1H-pyrimidin-5-yl)pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.10117 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.10845 160.7
[M+Na]+ 292.09039 167.6
[M+NH4]+ 287.13499 163.1
[M+K]+ 308.06433 165.7
[M-H]- 268.09389 157.1
[M+Na-2H]- 290.07584 160.4
[M]+ 269.10062 159.8
[M]- 269.10172 159.8
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.