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]+ 323.13902 175.8
[M+Na]+ 345.12096 183.2
[M-H]- 321.12446 182.8
[M+NH4]+ 340.16556 186.8
[M+K]+ 361.09490 178.3
[M+H-H2O]+ 305.12900 165.3
[M+HCOO]- 367.12994 192.8
[M+CH3COO]- 381.14559 210.0
[M+Na-2H]- 343.10641 175.9
[M]+ 322.13119 174.1
[M]- 322.13229 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.