CID 120783

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

Structural Information

Molecular Formula
C19H18N2O3
SMILES
CC(C)C1C(=O)N(C(=O)N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C19H18N2O3/c1-13(2)16-17(22)20(14-9-5-3-6-10-14)19(24)21(18(16)23)15-11-7-4-8-12-15/h3-13,16H,1-2H3
InChIKey
XZEXNGFHKUXBCI-UHFFFAOYSA-N
Compound name
1,3-diphenyl-5-propan-2-yl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.13174 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.139016 175.8
[M+Na]+ 345.120958 183.2
[M-H]- 321.124464 182.8
[M+NH4]+ 340.165563 186.8
[M+K]+ 361.094898 178.3
[M+H-H2O]+ 305.129000 165.3
[M+HCOO]- 367.129941 192.8
[M+CH3COO]- 381.145591 210.0
[M+Na-2H]- 343.106406 175.9
[M]+ 322.13119142 174.1
[M]- 322.13228858 174.1
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.