CID 48470

5,5-dipentylbarbituric acid

Structural Information

Molecular Formula
C14H24N2O3
SMILES
CCCCCC1(C(=O)NC(=O)NC1=O)CCCCC
InChI
InChI=1S/C14H24N2O3/c1-3-5-7-9-14(10-8-6-4-2)11(17)15-13(19)16-12(14)18/h3-10H2,1-2H3,(H2,15,16,17,18,19)
InChIKey
OGXSQNQDCVYDAQ-UHFFFAOYSA-N
Compound name
5,5-dipentyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

268.17868 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.18596 166.8
[M+Na]+ 291.16790 175.3
[M+NH4]+ 286.21250 172.4
[M+K]+ 307.14184 168.0
[M-H]- 267.17140 164.5
[M+Na-2H]- 289.15335 168.6
[M]+ 268.17813 167.0
[M]- 268.17923 167.0
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