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 159.3
[M+Na]+ 292.09039 165.2
[M-H]- 268.09389 157.3
[M+NH4]+ 287.13499 171.3
[M+K]+ 308.06433 162.6
[M+H-H2O]+ 252.09843 151.9
[M+HCOO]- 314.09937 175.5
[M+CH3COO]- 328.11502 195.1
[M+Na-2H]- 290.07584 159.7
[M]+ 269.10062 157.7
[M]- 269.10172 157.7
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.