CID 3036266

4-o-isopropyl barbitone

Structural Information

Molecular Formula
C11H18N2O3
SMILES
CCC1(C(=O)NC(=O)N=C1OC(C)C)CC
InChI
InChI=1S/C11H18N2O3/c1-5-11(6-2)8(14)12-10(15)13-9(11)16-7(3)4/h7H,5-6H2,1-4H3,(H,12,14,15)
InChIKey
JCCCTNJHSBDHRA-UHFFFAOYSA-N
Compound name
5,5-diethyl-6-propan-2-yloxypyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

226.13174 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.13902 150.1
[M+Na]+ 249.12096 158.2
[M-H]- 225.12446 149.8
[M+NH4]+ 244.16556 167.5
[M+K]+ 265.09490 156.4
[M+H-H2O]+ 209.12900 144.1
[M+HCOO]- 271.12994 167.1
[M+CH3COO]- 285.14559 188.5
[M+Na-2H]- 247.10641 153.0
[M]+ 226.13119 150.8
[M]- 226.13229 150.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.