CID 14529803

1-(3-hydroxyphenyl)dihydropyrimidine-2,4(1h,3h)-dione

Structural Information

Molecular Formula
C10H10N2O3
SMILES
C1CN(C(=O)NC1=O)C2=CC(=CC=C2)O
InChI
InChI=1S/C10H10N2O3/c13-8-3-1-2-7(6-8)12-5-4-9(14)11-10(12)15/h1-3,6,13H,4-5H2,(H,11,14,15)
InChIKey
NUEWZBOGLYTCGZ-UHFFFAOYSA-N
Compound name
1-(3-hydroxyphenyl)-1,3-diazinane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
Patents

206.06914 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.076416 144.0
[M+Na]+ 229.058358 151.6
[M-H]- 205.061864 145.3
[M+NH4]+ 224.102963 158.7
[M+K]+ 245.032298 147.6
[M+H-H2O]+ 189.066400 136.3
[M+HCOO]- 251.067341 160.7
[M+CH3COO]- 265.082991 179.5
[M+Na-2H]- 227.043806 148.1
[M]+ 206.06859142 138.7
[M]- 206.06968858 138.7
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

patents stripe