CID 13972

1-cyclohexyl-5-isopropyl-3-phenylbarbituric acid

Structural Information

Molecular Formula
C19H24N2O3
SMILES
CC(C)C1C(=O)N(C(=O)N(C1=O)C2=CC=CC=C2)C3CCCCC3
InChI
InChI=1S/C19H24N2O3/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/h3,5-6,9-10,13,15-16H,4,7-8,11-12H2,1-2H3
InChIKey
ZUZOWTTZFWBVCD-UHFFFAOYSA-N
Compound name
1-cyclohexyl-3-phenyl-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

328.17868 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.18596 179.7
[M+Na]+ 351.16790 184.1
[M-H]- 327.17140 185.5
[M+NH4]+ 346.21250 190.3
[M+K]+ 367.14184 179.8
[M+H-H2O]+ 311.17594 169.3
[M+HCOO]- 373.17688 192.4
[M+CH3COO]- 387.19253 211.2
[M+Na-2H]- 349.15335 176.8
[M]+ 328.17813 173.7
[M]- 328.17923 173.8
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.