CID 13974

5-allyl-1-cyclohexyl-3-phenylbarbituric acid

Structural Information

Molecular Formula
C19H22N2O3
SMILES
C=CCC1C(=O)N(C(=O)N(C1=O)C2=CC=CC=C2)C3CCCCC3
InChI
InChI=1S/C19H22N2O3/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/h2-3,5-6,10-11,15-16H,1,4,7-9,12-13H2
InChIKey
KUOBVCZIZVOJEJ-UHFFFAOYSA-N
Compound name
1-cyclohexyl-3-phenyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.16306 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.17034 179.9
[M+Na]+ 349.15228 192.3
[M+NH4]+ 344.19688 186.0
[M+K]+ 365.12622 184.9
[M-H]- 325.15578 183.6
[M+Na-2H]- 347.13773 185.2
[M]+ 326.16251 182.4
[M]- 326.16361 182.4
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

No patent data available for this compound.