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 156.9
[M+Na]+ 278.11112 163.8
[M-H]- 254.11462 154.6
[M+NH4]+ 273.15572 171.4
[M+K]+ 294.08506 160.7
[M+H-H2O]+ 238.11916 150.7
[M+HCOO]- 300.12010 173.1
[M+CH3COO]- 314.13575 192.9
[M+Na-2H]- 276.09657 158.8
[M]+ 255.12135 154.9
[M]- 255.12245 154.9
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.

Patent stripe

No patent data available for this compound.