CID 12937

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

Structural Information

Molecular Formula
C19H16N2O3
SMILES
C=CCC1C(=O)N(C(=O)N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C19H16N2O3/c1-2-9-16-17(22)20(14-10-5-3-6-11-14)19(24)21(18(16)23)15-12-7-4-8-13-15/h2-8,10-13,16H,1,9H2
InChIKey
CSCJXJYSSKSVQF-UHFFFAOYSA-N
Compound name
1,3-diphenyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

320.1161 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.123376 175.3
[M+Na]+ 343.105318 183.4
[M-H]- 319.108824 182.2
[M+NH4]+ 338.149923 186.4
[M+K]+ 359.079258 177.3
[M+H-H2O]+ 303.113360 164.7
[M+HCOO]- 365.114301 193.5
[M+CH3COO]- 379.129951 208.4
[M+Na-2H]- 341.090766 176.5
[M]+ 320.11555142 173.4
[M]- 320.11664858 173.4
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