CID 207581

5,6-dihydro-3-benzyl-1-hydroxy-2,4(1h,3h)-pyrimidinedione

Structural Information

Molecular Formula
C11H12N2O3
SMILES
C1CN(C(=O)N(C1=O)CC2=CC=CC=C2)O
InChI
InChI=1S/C11H12N2O3/c14-10-6-7-13(16)11(15)12(10)8-9-4-2-1-3-5-9/h1-5,16H,6-8H2
InChIKey
BXSMMKRKYUEMOJ-UHFFFAOYSA-N
Compound name
3-benzyl-1-hydroxy-1,3-diazinane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

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References

0
Patents

220.0848 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.09208 148.6
[M+Na]+ 243.07402 161.2
[M+NH4]+ 238.11862 155.3
[M+K]+ 259.04796 155.5
[M-H]- 219.07752 150.2
[M+Na-2H]- 241.05947 154.6
[M]+ 220.08425 150.6
[M]- 220.08535 150.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.