CID 26521

N,n'-diallylbarbital

Structural Information

Molecular Formula
C14H20N2O3
SMILES
CCC1(C(=O)N(C(=O)N(C1=O)CC=C)CC=C)CC
InChI
InChI=1S/C14H20N2O3/c1-5-9-15-11(17)14(7-3,8-4)12(18)16(10-6-2)13(15)19/h5-6H,1-2,7-10H2,3-4H3
InChIKey
OQJNEKQRESAPIR-UHFFFAOYSA-N
Compound name
5,5-diethyl-1,3-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

264.1474 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.15468 156.7
[M+Na]+ 287.13662 165.9
[M-H]- 263.14012 157.7
[M+NH4]+ 282.18122 173.5
[M+K]+ 303.11056 162.2
[M+H-H2O]+ 247.14466 150.8
[M+HCOO]- 309.14560 174.3
[M+CH3COO]- 323.16125 200.4
[M+Na-2H]- 285.12207 157.9
[M]+ 264.14685 158.5
[M]- 264.14795 158.5
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