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 164.5
[M+Na]+ 291.16790 170.3
[M-H]- 267.17140 161.7
[M+NH4]+ 286.21250 179.2
[M+K]+ 307.14184 166.0
[M+H-H2O]+ 251.17594 158.1
[M+HCOO]- 313.17688 178.7
[M+CH3COO]- 327.19253 194.5
[M+Na-2H]- 289.15335 165.6
[M]+ 268.17813 163.1
[M]- 268.17923 163.1
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

patents stripe