CID 3065039

N-allyl-n'-methylbarbital

Structural Information

Molecular Formula
C12H18N2O3
SMILES
CCC1(C(=O)N(C(=O)N(C1=O)CC=C)C)CC
InChI
InChI=1S/C12H18N2O3/c1-5-8-14-10(16)12(6-2,7-3)9(15)13(4)11(14)17/h5H,1,6-8H2,2-4H3
InChIKey
CKMKJQCESOBOOT-UHFFFAOYSA-N
Compound name
5,5-diethyl-1-methyl-3-prop-2-enyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.13174 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.13902 155.9
[M+Na]+ 261.12096 166.8
[M+NH4]+ 256.16556 162.4
[M+K]+ 277.09490 159.7
[M-H]- 237.12446 154.7
[M+Na-2H]- 259.10641 158.9
[M]+ 238.13119 156.9
[M]- 238.13229 156.9
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.