CID 205917

Barbituric acid, 5-methyl-1-phenyl-

Structural Information

Molecular Formula
C11H10N2O3
SMILES
CC1C(=O)NC(=O)N(C1=O)C2=CC=CC=C2
InChI
InChI=1S/C11H10N2O3/c1-7-9(14)12-11(16)13(10(7)15)8-5-3-2-4-6-8/h2-7H,1H3,(H,12,14,16)
InChIKey
NYIHIUHCYVISJZ-UHFFFAOYSA-N
Compound name
5-methyl-1-phenyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

218.06914 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.076416 146.2
[M+Na]+ 241.058358 155.1
[M-H]- 217.061864 149.3
[M+NH4]+ 236.102963 161.4
[M+K]+ 257.032298 151.2
[M+H-H2O]+ 201.066400 138.4
[M+HCOO]- 263.067341 164.3
[M+CH3COO]- 277.082991 185.4
[M+Na-2H]- 239.043806 149.6
[M]+ 218.06859142 142.9
[M]- 218.06968858 142.9
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

patents stripe