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

4
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 167.6
[M+Na]+ 317.08965 176.3
[M-H]- 293.09315 174.9
[M+NH4]+ 312.13425 179.9
[M+K]+ 333.06359 171.2
[M+H-H2O]+ 277.09769 157.3
[M+HCOO]- 339.09863 186.3
[M+CH3COO]- 353.11428 203.2
[M+Na-2H]- 315.07510 169.9
[M]+ 294.09988 165.8
[M]- 294.10098 165.8
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