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

25
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 164.4
[M+Na]+ 303.07400 179.3
[M+NH4]+ 298.11860 171.2
[M+K]+ 319.04794 172.2
[M-H]- 279.07750 168.6
[M+Na-2H]- 301.05945 173.0
[M]+ 280.08423 167.6
[M]- 280.08533 167.6
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