CID 139596077

Lenacil polar metabolite 1

Structural Information

Molecular Formula
C11H14N2O5
SMILES
C1CCC(CC1)N2C(=O)C(C(=O)NC2=O)C(=O)O
InChI
InChI=1S/C11H14N2O5/c14-8-7(10(16)17)9(15)13(11(18)12-8)6-4-2-1-3-5-6/h6-7H,1-5H2,(H,16,17)(H,12,14,18)
InChIKey
MLVMQCDPTORYFT-UHFFFAOYSA-N
Compound name
1-cyclohexyl-2,4,6-trioxo-1,3-diazinane-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

254.09027 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.09755 155.6
[M+Na]+ 277.07949 160.6
[M-H]- 253.08299 156.0
[M+NH4]+ 272.12409 167.9
[M+K]+ 293.05343 157.7
[M+H-H2O]+ 237.08753 148.0
[M+HCOO]- 299.08847 167.2
[M+CH3COO]- 313.10412 189.1
[M+Na-2H]- 275.06494 154.6
[M]+ 254.08972 147.8
[M]- 254.09082 147.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.