CID 6434967

5-(1-butenyl)-5-propylbarbituric acid

Structural Information

Molecular Formula
C11H16N2O3
SMILES
CCCC1(C(=O)NC(=O)NC1=O)/C=C/CC
InChI
InChI=1S/C11H16N2O3/c1-3-5-7-11(6-4-2)8(14)12-10(16)13-9(11)15/h5,7H,3-4,6H2,1-2H3,(H2,12,13,14,15,16)/b7-5+
InChIKey
DBFYVFUARVJDSS-FNORWQNLSA-N
Compound name
5-[(E)-but-1-enyl]-5-propyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.11609 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.12337 153.4
[M+Na]+ 247.10531 162.6
[M+NH4]+ 242.14991 159.3
[M+K]+ 263.07925 155.9
[M-H]- 223.10881 150.9
[M+Na-2H]- 245.09076 155.8
[M]+ 224.11554 153.6
[M]- 224.11664 153.6
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.