CID 40833

5-acetonyl-5-allyl-1-cyclohexylbarbituric acid

Structural Information

Molecular Formula
C16H22N2O4
SMILES
CC(=O)CC1(C(=O)NC(=O)N(C1=O)C2CCCCC2)CC=C
InChI
InChI=1S/C16H22N2O4/c1-3-9-16(10-11(2)19)13(20)17-15(22)18(14(16)21)12-7-5-4-6-8-12/h3,12H,1,4-10H2,2H3,(H,17,20,22)
InChIKey
ZJSORIKEFVSKCL-UHFFFAOYSA-N
Compound name
1-cyclohexyl-5-(2-oxopropyl)-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

306.15796 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.16524 174.0
[M+Na]+ 329.14718 182.4
[M+NH4]+ 324.19178 179.5
[M+K]+ 345.12112 175.9
[M-H]- 305.15068 173.3
[M+Na-2H]- 327.13263 176.2
[M]+ 306.15741 174.5
[M]- 306.15851 174.5
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.