CID 13973

1-cyclohexyl-3-phenyl-5-propylbarbituric acid

Structural Information

Molecular Formula
C19H24N2O3
SMILES
CCCC1C(=O)N(C(=O)N(C1=O)C2=CC=CC=C2)C3CCCCC3
InChI
InChI=1S/C19H24N2O3/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/h3,5-6,10-11,15-16H,2,4,7-9,12-13H2,1H3
InChIKey
BUTYVUKCJWGMOG-UHFFFAOYSA-N
Compound name
1-cyclohexyl-3-phenyl-5-propyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.17868 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.18596 180.5
[M+Na]+ 351.16790 185.2
[M-H]- 327.17140 186.1
[M+NH4]+ 346.21250 191.1
[M+K]+ 367.14184 180.3
[M+H-H2O]+ 311.17594 169.8
[M+HCOO]- 373.17688 194.1
[M+CH3COO]- 387.19253 210.3
[M+Na-2H]- 349.15335 178.6
[M]+ 328.17813 175.1
[M]- 328.17923 175.1
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.