CID 12942

5-butyl-1,3-diphenylbarbituric acid

Structural Information

Molecular Formula
C20H20N2O3
SMILES
CCCCC1C(=O)N(C(=O)N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C20H20N2O3/c1-2-3-14-17-18(23)21(15-10-6-4-7-11-15)20(25)22(19(17)24)16-12-8-5-9-13-16/h4-13,17H,2-3,14H2,1H3
InChIKey
BDXKIVHGIVLZBS-UHFFFAOYSA-N
Compound name
5-butyl-1,3-diphenyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.1474 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.15468 181.6
[M+Na]+ 359.13662 196.6
[M+NH4]+ 354.18122 188.0
[M+K]+ 375.11056 188.4
[M-H]- 335.14012 186.1
[M+Na-2H]- 357.12207 189.4
[M]+ 336.14685 184.9
[M]- 336.14795 184.9
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

No patent data available for this compound.