CID 205919

1,5-diphenylbarbituric acid

Structural Information

Molecular Formula
C16H12N2O3
SMILES
C1=CC=C(C=C1)C2C(=O)NC(=O)N(C2=O)C3=CC=CC=C3
InChI
InChI=1S/C16H12N2O3/c19-14-13(11-7-3-1-4-8-11)15(20)18(16(21)17-14)12-9-5-2-6-10-12/h1-10,13H,(H,17,19,21)
InChIKey
WMRDYTQKCWQUCE-UHFFFAOYSA-N
Compound name
1,5-diphenyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

280.08478 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.09206 163.7
[M+Na]+ 303.07400 171.5
[M-H]- 279.07750 169.4
[M+NH4]+ 298.11860 175.5
[M+K]+ 319.04794 165.7
[M+H-H2O]+ 263.08204 153.7
[M+HCOO]- 325.08298 181.2
[M+CH3COO]- 339.09863 174.2
[M+Na-2H]- 301.05945 166.8
[M]+ 280.08423 159.3
[M]- 280.08533 159.3
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