CID 12679377

5-(5-ethyl-2-imino-4,6-dioxohexahydro-5-pyrimidinyl)pentanoic acid

Structural Information

Molecular Formula
C11H17N3O4
SMILES
CCC1(C(=O)NC(=NC1=O)N)CCCCC(=O)O
InChI
InChI=1S/C11H17N3O4/c1-2-11(6-4-3-5-7(15)16)8(17)13-10(12)14-9(11)18/h2-6H2,1H3,(H,15,16)(H3,12,13,14,17,18)
InChIKey
RAGKYFUWLRWEBF-UHFFFAOYSA-N
Compound name
5-(2-amino-5-ethyl-4,6-dioxo-1H-pyrimidin-5-yl)pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.1219 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.12918 158.1
[M+Na]+ 278.11112 165.7
[M+NH4]+ 273.15572 162.9
[M+K]+ 294.08506 161.0
[M-H]- 254.11462 155.4
[M+Na-2H]- 276.09657 160.0
[M]+ 255.12135 157.9
[M]- 255.12245 157.9
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.

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No patent data available for this compound.