CID 120780

Barbituric acid, 1,3-diphenyl-5-methyl-

Structural Information

Molecular Formula
C17H14N2O3
SMILES
CC1C(=O)N(C(=O)N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C17H14N2O3/c1-12-15(20)18(13-8-4-2-5-9-13)17(22)19(16(12)21)14-10-6-3-7-11-14/h2-12H,1H3
InChIKey
XDQBLCQRXUTTCK-UHFFFAOYSA-N
Compound name
5-methyl-1,3-diphenyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

294.10043 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.10771 168.2
[M+Na]+ 317.08965 183.9
[M+NH4]+ 312.13425 175.2
[M+K]+ 333.06359 176.4
[M-H]- 293.09315 172.9
[M+Na-2H]- 315.07510 176.9
[M]+ 294.09988 171.7
[M]- 294.10098 171.7
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