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]+ 295.107706 167.6
[M+Na]+ 317.089648 176.3
[M-H]- 293.093154 174.9
[M+NH4]+ 312.134253 179.9
[M+K]+ 333.063588 171.2
[M+H-H2O]+ 277.097690 157.3
[M+HCOO]- 339.098631 186.3
[M+CH3COO]- 353.114281 203.2
[M+Na-2H]- 315.075096 169.9
[M]+ 294.09988142 165.8
[M]- 294.10097858 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