CID 199868

Barbituric acid, 1,3,5-triphenyl-

Structural Information

Molecular Formula
C22H16N2O3
SMILES
C1=CC=C(C=C1)C2C(=O)N(C(=O)N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C22H16N2O3/c25-20-19(16-10-4-1-5-11-16)21(26)24(18-14-8-3-9-15-18)22(27)23(20)17-12-6-2-7-13-17/h1-15,19H
InChIKey
WZQPYEJQKDEYJQ-UHFFFAOYSA-N
Compound name
1,3,5-triphenyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

356.1161 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.12338 186.0
[M+Na]+ 379.10532 193.5
[M-H]- 355.10882 195.7
[M+NH4]+ 374.14992 194.8
[M+K]+ 395.07926 186.8
[M+H-H2O]+ 339.11336 173.5
[M+HCOO]- 401.11430 203.9
[M+CH3COO]- 415.12995 195.5
[M+Na-2H]- 377.09077 187.7
[M]+ 356.11555 182.8
[M]- 356.11665 182.8
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